Author: bugman
Date: Tue Feb 22 15:34:26 2011
New Revision: 12613
URL: http://svn.gna.org/viewcvs/relax?rev=12613&view=rev
Log:
New relax R1 data file for the new testT1.txt PDC data file.
Modified:
1.3/test_suite/shared_data/pdc_files/r1
Modified: 1.3/test_suite/shared_data/pdc_files/r1
URL:
http://svn.gna.org/viewcvs/relax/1.3/test_suite/shared_data/pdc_files/r1?rev=12613&r1=12612&r2=12613&view=diff
==============================================================================
--- 1.3/test_suite/shared_data/pdc_files/r1 (original)
+++ 1.3/test_suite/shared_data/pdc_files/r1 Tue Feb 22 15:34:26 2011
@@ -1,72 +1,72 @@
# mol_name res_num res_name spin_num spin_name value
error
-None 2 Gln None N 2.19316607131
0.0167373857319
-None 3 Ile None N 2.33164219228
0.0193921242129
-None 4 Phe None N 2.34788508606
0.0236703348436
-None 5 Val None N 2.24886599821
0.0196311412343
-None 6 Lys None N 2.2789525024
0.0181879208185
-None 7 Thr None N 2.22003945867
0.0164588858918
-None 8 Leu None N 2.23951642467
0.0241174414885
-None 9 Thr None N 1.96777788367
0.0343791991479
-None 10 Gly None N 2.0875684322
0.0160684254834
-None 11 Lys None N 1.99730182405
0.014285366392
-None 12 Thr None N 2.16405472266
0.0201092533157
-None 13 Ile None N 2.27243094345
0.0211773211941
-None 14 Thr None N 2.198955365
0.0151497989677
-None 15 Leu None N 2.27948967552
0.0215942722753
-None 16 Glu None N 2.08655000221
0.013127939927
-None 17 Val None N 2.28438611675
0.0163908138419
-None 18 Glu None N 2.1078996481
0.0181478169064
-None 20 Ser None N 2.24272715306
0.0150958673478
-None 21 Asp None N 2.34943133581
0.0135707216051
-None 22 Thr None N 2.27465897388
0.021104221931
-None 23 Ile None N 2.46663406087
0.0250056714714
-None 25 Asn None N 2.3952903664
0.0207630796306
-None 26 Val None N 2.13289047641
0.0130497888569
-None 27 Lys None N 2.36225502002
0.0250962619463
-None 28 Ala None N 2.38482408468
0.0189369824401
-None 29 Lys None N 2.32669819269
0.0216931947782
-None 30 Thr None N 2.42006170148
0.0198167019708
-None 31 Gln None N 2.37188620597
0.0169158419505
-None 32 Asp None N 2.3427764194
0.0164466099455
-None 33 Lys None N 2.19297823605
0.0148488822554
-None 34 Glu None N 2.23811997028
0.0150104653329
-None 35 Gly None N 2.24602961229
0.0143183397286
-None 36 Ile None N 1.99065803361
0.0124778772129
-None 39 Asp None N 2.29367747495
0.0147298954457
-None 40 Gln None N 2.25468879195
0.0167662806023
-None 41 Gln None N 2.2243295406
0.0198711046761
-None 42 Arg None N 2.2796886728
0.0232293248211
-None 43 Leu None N 2.1724471962
0.0266335980946
-None 44 Ile None N 2.27921078025
0.023372128465
-None 45 Phe None N 2.26626119216
0.0255718340815
-None 46 Ala None N 2.17184851821
0.0582385194911
-None 47 Gly None N 2.19128895435
0.0170149240572
-None 48 Lys None N 2.20111526618
0.0176986945612
-None 49 Gln None N 2.11389708191
0.0155712147301
-None 50 Leu None N 2.24429960044
0.0217897134452
-None 51 Glu None N 2.13354406803
0.0218772550767
-None 52 Asp None N 2.04571765737
0.0153292285662
-None 54 Arg None N 2.1917972293
0.0202655975717
-None 55 Thr None N 2.27484080671
0.0273345237287
-None 56 Leu None N 2.36904770093
0.0195375193588
-None 57 Ser None N 2.29802420383
0.01470127603
-None 58 Asp None N 2.37716007771
0.0182748139926
-None 59 Tyr None N 2.22585681778
0.0177993899878
-None 60 Asn None N 2.28458371582
0.0137103489635
-None 61 Ile None N 2.34178470333
0.0200149582753
-None 62 Gln None N 1.97357442512
0.0153588227648
-None 63 Lys None N 2.16487344406
0.0109167229359
-None 64 Glu None N 2.31904426632
0.0225023013081
-None 65 Ser None N 2.18920681077
0.0176551050331
-None 66 Thr None N 2.18126161816
0.018354267885
-None 67 Leu None N 2.26758959961
0.0239898905076
-None 68 His None N 2.2462367181
0.0224539805637
-None 69 Leu None N 2.24855138308
0.0190511922564
-None 70 Val None N 2.31530066738
0.0235402342499
-None 71 Leu None N 2.1755953862
0.0160109658409
-None 72 Arg None N 2.1635257801
0.0137459868716
-None 73 Leu None N 1.85653927832
0.0114347570865
-None 74 Arg None N 1.61202380006
0.0128878628006
-None 75 Gly None N 1.16222624543
0.0145689656727
-None 76 Gly None N 0.763152015796
0.00325787287279
+None 2 Gln None N 2.19316607131
0.0172386232908
+None 3 Ile None N 2.33164219228
0.0183443518519
+None 4 Phe None N 2.34788508606
0.0227955267542
+None 5 Val None N 2.24886599821
0.0180795406122
+None 6 Lys None N 2.2789525024
0.0177354763781
+None 7 Thr None N 2.22003945867
0.0163679694532
+None 8 Leu None N 2.23951642467
0.0254750354788
+None 9 Thr None N 1.96777788367
0.0352544464578
+None 10 Gly None N 2.0875684322
0.0153654041759
+None 11 Lys None N 1.99730182405
0.014531283342
+None 12 Thr None N 2.16405472266
0.0209402415213
+None 13 Ile None N 2.27243094345
0.0224280509971
+None 14 Thr None N 2.198955365
0.0150508562139
+None 15 Leu None N 2.27948967552
0.020430891379
+None 16 Glu None N 2.08655000221
0.0131497725671
+None 17 Val None N 2.28438611675
0.0171771915344
+None 18 Glu None N 2.1078996481
0.018674617039
+None 20 Ser None N 2.24272715306
0.0161431258325
+None 21 Asp None N 2.34943133581
0.013312575129
+None 22 Thr None N 2.27465897388
0.0207786570301
+None 23 Ile None N 2.46663406087
0.025490168883
+None 25 Asn None N 2.3952903664
0.0209840658917
+None 26 Val None N 2.13289047641
0.0134131139162
+None 27 Lys None N 2.36225502002
0.0235723466988
+None 28 Ala None N 2.38482408468
0.0193876962877
+None 29 Lys None N 2.32669819269
0.0211757913963
+None 30 Thr None N 2.42006170148
0.0183969142864
+None 31 Gln None N 2.37188620597
0.0171081419383
+None 32 Asp None N 2.3427764194
0.0166107892189
+None 33 Lys None N 2.19297823605
0.0147985959213
+None 34 Glu None N 2.23811997028
0.0161833329565
+None 35 Gly None N 2.24602961229
0.0132501633342
+None 36 Ile None N 1.99065803361
0.0119371117784
+None 39 Asp None N 2.29367747495
0.0146207658709
+None 40 Gln None N 2.25468879195
0.0175586127238
+None 41 Gln None N 2.2243295406
0.0213827058018
+None 42 Arg None N 2.2796886728
0.0246653917801
+None 43 Leu None N 2.1724471962
0.0277957833136
+None 44 Ile None N 2.27921078025
0.0238295262781
+None 45 Phe None N 2.26626119216
0.0258171858396
+None 46 Ala None N 2.17184851821
0.0564957968913
+None 47 Gly None N 2.19128895435
0.0171506431363
+None 48 Lys None N 2.20111526618
0.0170114668684
+None 49 Gln None N 2.11389708191
0.0156773151423
+None 50 Leu None N 2.24429960044
0.0231432887694
+None 51 Glu None N 2.13354406803
0.0215361108792
+None 52 Asp None N 2.04571765737
0.0160131880118
+None 54 Arg None N 2.1917972293
0.0202281839803
+None 55 Thr None N 2.27484080671
0.0252626224367
+None 56 Leu None N 2.36904770093
0.0201953638757
+None 57 Ser None N 2.29802420383
0.0149972198301
+None 58 Asp None N 2.37716007771
0.0188528192903
+None 59 Tyr None N 2.22585681778
0.0172777140575
+None 60 Asn None N 2.28458371582
0.0138771252559
+None 61 Ile None N 2.34178470333
0.0203630099596
+None 62 Gln None N 1.97357442512
0.0148163922994
+None 63 Lys None N 2.16487344406
0.0103478884037
+None 64 Glu None N 2.31904426632
0.0219686576237
+None 65 Ser None N 2.18920681077
0.0168659713768
+None 66 Thr None N 2.18126161816
0.0176501602926
+None 67 Leu None N 2.26758959961
0.0222025938212
+None 68 His None N 2.2462367181
0.0233778502267
+None 69 Leu None N 2.24855138308
0.017041910335
+None 70 Val None N 2.31530066738
0.0234394434209
+None 71 Leu None N 2.1755953862
0.0165496117566
+None 72 Arg None N 2.1635257801
0.0134432394378
+None 73 Leu None N 1.85653927832
0.0111980399019
+None 74 Arg None N 1.61202380006
0.0132121863859
+None 75 Gly None N 1.16222624543
0.0148261890535
+None 76 Gly None N 0.763152015796
0.00359679040075
r12613 - /1.3/test_suite/shared_data/pdc_files/r1