Content for NMR-STAR saveframe, "theoretical_heteronucl_NOEs_2_700NOE"
save_theoretical_heteronucl_NOEs_2_700NOE
_Theoretical_heteronucl_NOE_list.Sf_category theoretical_heteronucl_NOEs
_Theoretical_heteronucl_NOE_list.Sf_framecode theoretical_heteronucl_NOEs_2_700NOE
_Theoretical_heteronucl_NOE_list.Entry_ID 50166
_Theoretical_heteronucl_NOE_list.ID 2
_Theoretical_heteronucl_NOE_list.Name 700NOE
_Theoretical_heteronucl_NOE_list.Sample_condition_list_ID 1
_Theoretical_heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1_P2MIN_15N_labelled
_Theoretical_heteronucl_NOE_list.Spectrometer_frequency_1H 700
_Theoretical_heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities'
_Theoretical_heteronucl_NOE_list.NOE_ref_val 0
_Theoretical_heteronucl_NOE_list.NOE_ref_description .
_Theoretical_heteronucl_NOE_list.Details .
_Theoretical_heteronucl_NOE_list.Text_data_format text
_Theoretical_heteronucl_NOE_list.Text_data
;
# Parameter description: The steady-state NOE value.
#
# mol_name res_num res_name spin_num spin_name value error
P2MIN 1 M 1 N None None
P2MIN 2 T 2 N None None
P2MIN 3 S 3 N 0.262248520166253 0.0163300143563571
P2MIN 4 E 4 N 0.372534190675033 0.0168288358012792
P2MIN 5 W 5 N 0.572718478564856 0.0332690442551689
P2MIN 6 E 6 N 0.762398394121486 0.0416809187589973
P2MIN 7 L 7 N 0.758739707840477 0.048991555461737
P2MIN 8 F 8 N 0.915309092033925 0.0537201465874329
P2MIN 9 I 9 N 0.731404336064243 0.0586016560977739
P2MIN 10 Y 10 N 0.781092053172302 0.0348839005248656
P2MIN 11 K 11 N None None
P2MIN 12 L 12 N 0.746392112674466 0.0330259765352525
P2MIN 13 K 13 N None None
P2MIN 14 A 14 N None None
P2MIN 15 D 15 N None None
P2MIN 16 K 16 N None None
P2MIN 17 W 17 N None None
P2MIN 18 C 18 N None None
P2MIN 19 I 19 N 0.882278534930453 0.0574301049954114
P2MIN 20 G 20 N 0.801596691253001 0.0752216115013232
P2MIN 21 E 21 N 0.879107246103992 0.0369252825481134
P2MIN 22 P 22 N None None
P2MIN 23 L 23 N 0.738245158228915 0.0396512160584306
P2MIN 24 R 24 N 0.9103830692701 0.0545792905760045
P2MIN 25 N 25 N 0.822054373245855 0.0385668502440723
P2MIN 26 L 26 N 0.769883976324546 0.0358785670586275
P2MIN 27 F 27 N 0.525723970123775 0.0427760145105985
P2MIN 28 M 28 N 0.66398281858161 0.0358682721931678
P2MIN 29 P 29 N None None
P2MIN 30 E 30 N 0.747210629867769 0.0289102021690098
P2MIN 31 G 31 N 0.715987571205115 0.0370650962198549
P2MIN 32 T 32 N 0.768552349719421 0.0360220516062756
P2MIN 33 R 33 N 0.691650570836533 0.0380453972853892
P2MIN 34 I 34 N 0.718482314512002 0.0367124547481174
P2MIN 35 A 35 N 0.944183501460268 0.0783610894829385
P2MIN 36 A 36 N 0.87394722121253 0.0487826333451952
P2MIN 37 V 37 N 0.670814071063197 0.0285401441177773
P2MIN 38 F 38 N 1.00460389789618 0.074715747556822
P2MIN 39 R 39 N 0.824564848175455 0.0624855181745447
P2MIN 40 D 40 N 0.831326302009432 0.0546402228743144
P2MIN 41 N 41 N 0.666479505689936 0.0605149662781609
P2MIN 42 Q 42 N 0.754758645412374 0.0425698551400018
P2MIN 43 L 43 N 0.753643000610019 0.0394654356310664
P2MIN 44 L 44 N 0.765176878063621 0.0686424704924386
P2MIN 45 H 45 N 0.724732740962179 0.0317462063271273
P2MIN 46 P 46 N None None
P2MIN 47 S 47 N 0.474122734368727 0.0397564931123578
P2MIN 48 G 48 N None None
P2MIN 49 S 49 N 0.840494920612829 0.0554706146681873
P2MIN 50 T 50 N 0.755453844232602 0.022991692718238
P2MIN 51 E 51 N 0.6603791718662 0.034327640061478
P2MIN 52 L 52 N 0.557494895642737 0.0515067649763099
P2MIN 53 C 53 N 0.896528810227419 0.0547824860381465
P2MIN 54 E 54 N 0.839165247130808 0.0492008423026496
P2MIN 55 G 55 N 0.80483112802192 0.0535419573120702
P2MIN 56 D 56 N 0.803209526193592 0.0313849623290265
P2MIN 57 T 57 N 0.862385043606012 0.0435863539026804
P2MIN 58 L 58 N 0.937125785535896 0.0678879051141682
P2MIN 59 C 59 N -0.807867584449047 0.0442989507120276
P2MIN 60 V 60 N 0.850211954298907 0.054463566273671
P2MIN 61 M 61 N 0.868591192607699 0.0547219214913892
P2MIN 62 A 62 N 0.757592276453975 0.0533333353961406
P2MIN 63 Q 63 N 0.768660154785518 0.0556827838358563
P2MIN 64 E 64 N 0.764254136848378 0.029907051299457
P2MIN 65 R 65 N 0.782482653601738 0.0282472760459028
P2MIN 66 D 66 N 0.773833494079504 0.025373494895286
P2MIN 67 L 67 N 0.778900030163707 0.0238962707530928
P2MIN 68 E 68 N 0.604638980865009 0.0306660179034484
P2MIN 69 S 69 N 0.735811943530283 0.0247151703521125
P2MIN 70 L 70 N 0.509359624279429 0.0243804062691932
P2MIN 71 S 71 N 0.783528043655091 0.0353892302527643
P2MIN 72 R 72 N 0.384119327289595 0.0752539625844007
P2MIN 73 L 73 N 0.389154211293753 0.0179183312350741
P2MIN 74 F 74 N 0.782515200949132 0.0994596054510542
P2MIN 75 S 75 N None None
P2MIN 76 E 76 N None None
P2MIN 77 A 77 N 0.778887542583566 0.036443752370105
P2MIN 78 P 78 N None None
P2MIN 79 E 79 N None None
P2MIN 80 K 80 N 0.454864191687802 0.0315782266194031
P2MIN 81 A 81 N 0.474780844208686 0.129247928583718
P2MIN 82 S 82 N 0.556323433389361 0.0373687727714058
P2MIN 83 L 83 N None None
P2MIN 84 A 84 N 0.670114037617106 0.0396514083543308
P2MIN 85 R 85 N 0.745676074119434 0.0578363225937075
P2MIN 86 F 86 N 0.719530743539777 0.0825870016989652
P2MIN 87 F 87 N 0.814300572517787 0.144648844652336
P2MIN 88 G 88 N None None
P2MIN 89 D 89 N 0.728935049194156 0.0805600932120357
P2MIN 90 F 90 N 0.81991788767101 0.118612137053235
P2MIN 91 F 91 N 0.694651767337752 0.056695789312862
P2MIN 92 L 92 N 0.736604035261504 0.104768697834078
P2MIN 93 D 93 N 0.809646737351304 0.0588973801964887
P2MIN 94 I 94 N 0.811303456532406 0.0366488985412704
P2MIN 95 E 95 N 0.776363250117206 0.0191273432532234
P2MIN 96 A 96 N 0.742816412829371 0.0209795788221059
P2MIN 97 K 97 N 0.872267429138648 0.0286815297889117
P2MIN 98 L 98 N 0.855553248063903 0.023845118562709
P2MIN 99 Q 99 N 0.719304271090793 0.0546564159784327
P2MIN 100 D 100 N 0.837462171138384 0.0223347851887019
P2MIN 101 V 101 N 0.867965466499295 0.0259010002492392
P2MIN 102 A 102 N 0.646224131856859 0.0278897853733422
P2MIN 103 L 103 N 0.787026383870953 0.0224218675119497
P2MIN 104 L 104 N 0.697252382335809 0.0454272846071357
P2MIN 105 Y 105 N 0.805645229613987 0.0316936545169594
P2MIN 106 G 106 N 0.878927751371107 0.0314421153756289
P2MIN 107 L 107 N 0.794794307683008 0.0325354368098347
P2MIN 108 D 108 N 0.704623350473902 0.0187324878236533
P2MIN 109 L 109 N 0.582459154446885 0.0242874983399743
P2MIN 110 G 110 N 0.823810142444079 0.0721745573276296
P2MIN 111 E 111 N 0.603828572181699 0.0143038173107125
P2MIN 112 L 112 N 0.479759904900519 0.0277824567755847
P2MIN 113 E 113 N 0.50265317874045 0.0266808592305921
P2MIN 114 A 114 N 0.713668480403042 0.038120266912337
P2MIN 115 D 115 N 0.631372090657221 0.0159898097869747
P2MIN 116 A 116 N 0.673156161844894 0.0121714303889836
P2MIN 117 K 117 N 0.790226746562478 0.0271884849945073
P2MIN 118 L 118 N 0.779632176180647 0.033733524825065
P2MIN 119 K 119 N 0.83854737423011 0.0353000599772079
P2MIN 120 D 120 N 0.814231840903738 0.0344006036390301
P2MIN 121 L 121 N 0.858172172965277 0.0273272650263746
P2MIN 122 V 122 N 0.779559186794258 0.0200595239705431
P2MIN 123 L 123 N 0.820209268899602 0.0212886183953435
P2MIN 124 E 124 N 0.795780663437686 0.0177177691208868
P2MIN 125 H 125 N 0.838942766348383 0.0307588756386519
P2MIN 126 L 126 N 0.726195016484144 0.0285251668990973
P2MIN 127 G 127 N 0.852560101958725 0.0225533682728005
P2MIN 128 E 128 N 0.742854932375984 0.0154092557543224
P2MIN 129 T 129 N 0.678837483259759 0.0154557577655075
P2MIN 130 P 130 N None None
P2MIN 131 V 131 N 0.767145022562739 0.0267901827150984
P2MIN 132 L 132 N 0.574652886036015 0.0249720188618218
P2MIN 133 G 133 N None None
P2MIN 134 D 134 N 0.611274737100266 0.029140027729806
P2MIN 135 Y 135 N 0.801265721727057 0.0416582818098732
P2MIN 136 F 136 N 0.858531518085327 0.0363515559812086
P2MIN 137 E 137 N 0.815007802953215 0.037383014082588
P2MIN 138 W 138 N 0.897625495939274 0.0316982099023959
P2MIN 139 H 139 N 0.834789375373238 0.0373039754233336
P2MIN 140 G 140 N 0.761348745098345 0.0280925259245115
P2MIN 141 L 141 N 0.873544095891908 0.0279173133791301
P2MIN 142 Q 142 N 0.780209587776587 0.0651502367564628
P2MIN 143 W 143 N 0.786951025064184 0.0406724862692831
P2MIN 144 V 144 N 0.730590998435939 0.0620091053251077
P2MIN 145 V 145 N 0.889306642238701 0.0503964570588444
P2MIN 146 A 146 N 0.675415943392078 0.0807613822416673
P2MIN 147 D 147 N 0.949220796806025 0.0604487107085494
P2MIN 148 V 148 N 0.815944550492101 0.0273673492505325
P2MIN 149 V 149 N 0.777604173019568 0.0287102476368078
P2MIN 150 D 150 N 0.779831247789081 0.0302065552562901
P2MIN 151 W 151 N 0.702221198986764 0.0293637615929777
P2MIN 152 K 152 N 0.707749147312239 0.0163736879929436
P2MIN 153 V 153 N 0.581460604090849 0.0177116297844014
P2MIN 154 T 154 N 0.714565399779653 0.0226085656725129
P2MIN 155 K 155 N 0.83428161401708 0.0422201491992688
P2MIN 156 I 156 N 0.759667917570856 0.0458125279968137
P2MIN 157 G 157 N None None
P2MIN 158 L 158 N None None
P2MIN 159 R 159 N 0.724232519161341 0.0682755823014274
P2MIN 160 E 160 N 0.64047941151783 0.0349042730828159
P2MIN 161 N 161 N 0.779019225210413 0.090697416191589
P2MIN 162 L 162 N 0.652352819356143 0.0543692311984304
P2MIN 163 Y 163 N 0.532206769739063 0.0306320691741613
P2MIN 164 F 164 N 0.718294137916916 0.0706116834383932
P2MIN 165 Q 165 N 0.335931138309345 0.0213769132094371
;
loop_
_Theoretical_heteronucl_NOE_software.Software_ID
_Theoretical_heteronucl_NOE_software.Software_label
_Theoretical_heteronucl_NOE_software.Method_ID
_Theoretical_heteronucl_NOE_software.Method_label
_Theoretical_heteronucl_NOE_software.Entry_ID
_Theoretical_heteronucl_NOE_software.Theoretical_heteronucl_NOE_list_ID
7 $software_8_Relax . . 50166 2
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save_