Content for NMR-STAR saveframe, "1"
save_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode 1
_Spectral_peak_list.Entry_ID 21099
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '2D 1H-1H NOESY'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chem_shift_list_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format .
_Spectral_peak_list.Text_data
;
Number # Position F1 Position F2 Assign F1 Assign F2 Height Volume Vol. Method
1 128 7.41791 4.57497 16PheHd* 14LeuHa 4.40310e+04 3.58119e+05 box sum
2 204 3.88070 4.54646 6ProHdb 5LeuHa 1.12349e+05 9.06202e+05 box sum
3 291 1.08121 4.49107 11LeuHdb* 15ProHa 3.15780e+04 1.51262e+05 box sum
4 306 2.23331 8.19941 15ProHgb 17LeuH 4.99420e+04 3.86601e+05 box sum
5 321 7.64684 4.59854 4AlaH 3ProHa 5.11593e+05 3.65345e+06 box sum
6 324 7.91067 2.33730 13SerH 12MetHg* 1.28154e+05 1.01721e+06 box sum
7 325 8.07288 4.40610 10GlyH 7LeuHa 5.92310e+04 4.57485e+05 box sum
8 327 3.88383 1.85441 6ProHdb 5LeuHb* 2.21392e+05 1.79699e+06 box sum
9 328 1.85844 3.79006 5LeuHb* 6ProHda 1.07529e+05 8.33242e+05 box sum
10 329 1.74792 3.96703 14LeuHba 15ProHdb 6.18970e+04 5.16956e+05 box sum
11 330 1.98779 2.48482 6ProHba 6ProHbb 7.43962e+05 5.94401e+06 box sum
12 331 1.80365 2.43957 15ProHba 15ProHbb 5.81331e+05 4.78063e+06 box sum
13 332 7.64693 1.58170 4AlaH 4AlaHb* 5.23963e+05 3.71725e+06 box sum
14 333 7.52552 4.51682 16PheHe* 16PheHa 7.13980e+04 5.67692e+05 box sum
15 334 7.52437 1.10629 16PheHe* 14LeuHda* 6.39910e+04 5.12205e+05 box sum
16 1 2.40686 4.59512 3ProHbb 3ProHa 7.52220e+04 6.40102e+05 box sum
17 2 2.21999 4.59924 3ProHgb 3ProHa 5.35110e+04 3.69254e+05 box sum
18 3 8.32105 4.49461 20LysH 19HisHa 1.02977e+05 7.71467e+05 box sum
19 4 8.32007 4.28127 20LysH 20LysHa 3.52601e+05 2.53929e+06 box sum
20 5 8.70931 8.20342 18GlnH (17Leu/19His)H 3.56482e+05 2.57539e+06 box sum
21 6 7.48766 8.20543 16PheH 17LeuH 2.42145e+05 1.78425e+06 box sum
22 7 8.07207 4.22812 10GlyH 9AlaHa 6.61510e+04 5.11509e+05 box sum
23 8 8.38890 4.35155 12MetH 11LeuHa 6.59380e+04 4.99064e+05 box sum
24 9 7.91252 8.38450 13SerH 12MetH 2.60602e+05 2.01732e+06 box sum
25 10 8.48768 7.95594 9AlaH 8LeuH 2.76803e+05 1.97654e+06 box sum
26 11 8.42598 4.28446 21LeuH 20LysHa 1.09141e+05 7.86260e+05 box sum
27 12 7.10478 2.44876 18GlnHe2b 18GlnHga 5.61210e+04 3.90448e+05 box sum
28 13 6.59869 2.44854 18GlnHe2a 18GlnHga 2.90650e+04 1.97707e+05 box sum
29 14 8.70928 4.30231 18GlnH 17LeuHa 5.83040e+04 4.24307e+05 box sum
30 15 8.70963 4.50353 18GlnH 15ProHa 5.89220e+04 4.30810e+05 box sum
31 16 7.48732 3.42300 16PheH 16PheHb* 3.72786e+05 2.80278e+06 box sum
32 17 7.43071 3.41949 16PheHd* 16PheHb* 3.66450e+05 2.86827e+06 box sum
33 18 8.20618 3.43372 17LeuH 16PheHb* 1.55717e+05 1.21923e+06 box sum
34 19 7.48636 3.85147 16PheH 15ProHda 1.07926e+05 8.21554e+05 box sum
35 20 7.78063 4.40233 22ThrH 21LeuHa 6.86230e+04 5.25188e+05 box sum
36 21 8.03002 4.48696 23AsnH 22ThrH* 1.33548e+05 1.04470e+06 box sum
37 22 3.53296 4.49789 19HisHbb 19HisHa 1.51163e+05 1.16955e+06 box sum
38 23 3.49072 4.49822 19HisHba 19HisHa 1.38322e+05 1.14913e+06 box sum
39 24 1.79725 4.50016 15ProHba 15ProHa 9.79320e+04 8.05953e+05 box sum
40 25 2.44282 4.49412 15ProHbb 15ProHa 2.27268e+05 1.88174e+06 box sum
41 26 8.07266 8.48237 10GlyH 9AlaH 2.17209e+05 1.64410e+06 box sum
42 27 7.95746 4.40342 8LeuH 7LeuHa 6.91800e+04 5.17881e+05 box sum
43 28 7.95000 3.85844 14LeuH 15ProHda 1.40980e+05 9.81567e+05 box sum
44 29 7.94999 3.96912 14LeuH 15ProHdb 1.42307e+05 9.89993e+05 box sum
45 30 8.21474 2.39862 2LeuH 1ValHb 5.96000e+04 4.45287e+05 box sum
46 31 7.64752 2.41009 4AlaH 3ProHbb 5.11300e+04 3.67582e+05 box sum
47 32 7.91668 1.86086 5LeuH 5LeuHb* 8.85045e+05 6.29530e+06 box sum
48 33 7.38243 1.91474 7LeuH 7LeuHb* 6.81816e+05 5.10320e+06 box sum
49 34 8.21384 3.96779 2LeuH 1ValHa 5.06654e+05 3.78617e+06 box sum
50 35 7.48723 3.96620 16PheH 15ProHdb 3.84850e+04 2.81008e+05 box sum
51 36 3.95964 4.56278 15ProHdb 14LeuHa 5.42030e+04 4.31965e+05 box sum
52 37 3.88433 3.78363 6ProHdb 6ProHda 1.11119e+06 7.97108e+06 box sum
53 38 4.02107 3.80200 3ProHdb 3ProHda 9.02785e+05 6.87317e+06 box sum
54 39 3.86111 3.96608 15ProHda 15ProHdb 6.34623e+05 4.90073e+06 box sum
55 40 8.71048 1.12195 18GlnH 17LeuHd* 3.91120e+04 3.10474e+05 box sum
56 41 8.42316 1.13076 21LeuH 17LeuHdb* 2.63690e+04 2.18378e+05 box sum
57 42 8.20966 1.13048 (2Leu/17Leu)H (2Leu/17Leu)(Hd*/Hda*) 7.72170e+04 6.13568e+05 box sum
58 43 8.49042 1.08570 9AlaH 8LeuHdb* 3.88390e+04 3.10205e+05 box sum
59 44 8.38846 1.07087 12MetH 11LeuHdb* 4.76790e+04 3.78405e+05 box sum
60 45 8.35051 1.06141 11LeuH 11LeuHdb* 1.16898e+05 8.83295e+05 box sum
61 46 8.42600 1.05191 21LeuH 21LeuHd* 9.32570e+04 6.84688e+05 box sum
62 47 7.95038 1.17455 14LeuH 14LeuHdb* 4.13260e+04 3.14400e+05 box sum
63 48 7.43389 1.11484 16PheHd* 17LeuHda* 6.94750e+04 5.76575e+05 box sum
64 49 7.91642 1.10029 (5Leu/13Ser)H (5Leu/14Leu)Hda* 8.96320e+04 6.91308e+05 box sum
65 50 7.95375 1.08614 8LeuH 7LeuHda* 1.17638e+05 9.36306e+05 box sum
66 51 7.38306 1.08365 7LeuH (11Leu/7Leu)(Hdb*/Hda*) 6.28310e+04 5.07084e+05 box sum
67 52 8.07165 1.07853 10GlyH 11LeuHdb* 3.35780e+04 2.75091e+05 box sum
68 53 7.78172 1.05349 22ThrH 21LeuHd* 4.03780e+04 3.27350e+05 box sum
69 54 7.37998 1.13102 7LeuH 7LeuHdb* 4.70900e+04 3.94102e+05 box sum
70 55 8.02809 1.41493 23AsnH 22ThrHg2* 3.44380e+04 2.78941e+05 box sum
71 56 7.78132 1.41802 22ThrH 22ThrHg2* 1.64355e+05 1.29726e+06 box sum
72 57 8.32053 1.60278 20LysH 20LysHga 7.81620e+04 6.04712e+05 box sum
73 58 8.21209 1.59821 17LeuH 20LysHga 3.88980e+04 3.11153e+05 box sum
74 59 8.48787 1.58791 9AlaH 9AlaHb* 5.68830e+05 4.04562e+06 box sum
75 60 8.42724 1.59708 21LeuH 20LysHga 2.92940e+04 2.34678e+05 box sum
76 61 8.38762 1.58960 12MetH 9AlaHb* 2.49190e+04 1.93447e+05 box sum
77 62 8.07201 1.58749 10GlyH 9AlaHb* 2.30278e+05 1.74793e+06 box sum
78 63 7.95586 1.58659 8LeuH 9AlaHb* 7.11470e+04 5.34600e+05 box sum
79 64 7.91614 1.58357 5LeuH 4AlaHb* 2.01121e+05 1.43304e+06 box sum
80 65 8.42591 1.76344 21LeuH 21LeuHba 1.02753e+05 7.50258e+05 box sum
81 66 8.38890 1.76098 12MetH 11LeuHba 7.61470e+04 5.66133e+05 box sum
82 67 8.35089 1.76063 11LeuH 11LeuHba 1.62175e+05 1.17830e+06 box sum
83 68 8.32576 1.76031 20LysH 21LeuHba 5.78970e+04 4.39083e+05 box sum
84 69 7.78063 1.76281 22ThrH 21LeuHba 5.90050e+04 4.75017e+05 box sum
85 70 7.94967 1.75200 14LeuH 14LeuHba 1.47283e+05 1.02286e+06 box sum
86 71 8.38814 2.09181 12MetH 11LeuHbb 1.21295e+05 9.20612e+05 box sum
87 72 8.35067 2.09185 11LeuH 11LeuHbb 3.55785e+05 2.59211e+06 box sum
88 73 8.32128 2.06706 20LysH 20LysHba 3.62331e+05 2.74293e+06 box sum
89 74 8.20638 1.99238 17LeuH 17LeuHbb 2.14140e+05 1.68459e+06 box sum
90 75 8.42566 1.98003 21LeuH 21LeuHbb 4.01734e+05 2.95842e+06 box sum
91 76 8.70759 1.94253 18GlnH 17LeuHba 9.22100e+04 7.30596e+05 box sum
92 77 7.91841 2.11319 5LeuH {*}(Hga/Hba/Hga) 6.16940e+04 5.08676e+05 box sum
93 78 7.64720 2.11272 4AlaH 3Pro(Hga/Hba) 8.14970e+04 5.80338e+05 box sum
94 79 7.38311 1.99881 7LeuH 6ProHba 8.65920e+04 6.26333e+05 box sum
95 80 7.77981 1.99059 22ThrH 21LeuHbb 1.07123e+05 8.08942e+05 box sum
96 81 7.95603 1.90887 8LeuH 7LeuHb* 6.04997e+05 4.74306e+06 box sum
97 82 7.45723 1.83790 16PheHz 20LysHda 2.51600e+04 1.87578e+05 box sum
98 83 7.43799 1.81878 19HisHd2 15ProHba 3.72580e+04 2.71214e+05 box sum
99 84 7.48743 1.80064 16PheH 15ProHba 9.72240e+04 7.48085e+05 box sum
100 85 8.70929 2.62569 18GlnH 18GlnHgb 9.77780e+04 6.96447e+05 box sum
101 86 8.70947 2.44760 18GlnH 18GlnHga 4.52850e+04 3.30026e+05 box sum
102 87 8.70925 2.27045 18GlnH 18GlnHb* 3.14042e+05 2.31134e+06 box sum
103 88 8.38874 2.33938 12MetH 12MetHg* 3.65327e+05 2.73506e+06 box sum
104 89 8.19916 2.26432 19HisH 18GlnHb* 1.72077e+05 1.32110e+06 box sum
105 90 7.48610 2.43884 16PheH 15ProHbb 3.36020e+04 2.66743e+05 box sum
106 91 7.43786 2.23772 16PheHd* 15ProHgb 3.69620e+04 2.44171e+05 box sum
107 92 7.48639 2.22933 16PheH 15ProHgb 4.78710e+04 3.83681e+05 box sum
108 93 7.64759 2.22055 4AlaH 3ProHgb 3.72820e+04 2.72800e+05 box sum
109 94 7.48672 2.12137 16PheH 15ProHga 2.99190e+04 2.27177e+05 box sum
110 95 8.38877 2.92256 12MetH 12MetHbb 1.12965e+05 8.23119e+05 box sum
111 96 8.03070 2.84122 23AsnH 23AsnHba 1.19516e+05 9.58522e+05 box sum
112 97 7.60956 2.84052 23AsnHd2b 23AsnHba 4.30440e+04 2.96716e+05 box sum
113 98 8.38900 2.78127 12MetH 12MetHba 1.03878e+05 7.65711e+05 box sum
114 99 8.32020 3.52625 20LysH 19HisHbb 1.21174e+05 9.08966e+05 box sum
115 100 8.19879 3.49441 19HisH 19HisHba 2.78409e+05 2.16663e+06 box sum
116 101 7.43943 3.52256 19HisHd2 19HisHbb 1.09013e+05 7.29689e+05 box sum
117 102 7.38187 3.88706 7LeuH 6ProHdb 4.57200e+04 3.33267e+05 box sum
118 103 7.91703 3.88350 5LeuH 6ProHdb 2.10698e+05 1.48719e+06 box sum
119 104 7.43758 3.85491 16PheHd* 15ProHda 2.63150e+04 1.80004e+05 box sum
120 105 7.91684 3.79013 5LeuH 6ProHda 2.08324e+05 1.47154e+06 box sum
121 106 7.38281 3.79141 7LeuH 6ProHda 1.85019e+05 1.40457e+06 box sum
122 107 8.35086 4.04314 11LeuH 10GlyHa* 2.29206e+05 1.65270e+06 box sum
123 108 8.07200 4.03784 10GlyH 10GlyHa* 7.90188e+05 6.16362e+06 box sum
124 109 8.70892 4.13595 18GlnH 18GlnHa 1.60853e+05 1.16509e+06 box sum
125 110 8.38839 4.51547 12MetH 12MetHa 1.93273e+05 1.42009e+06 box sum
126 111 8.42499 4.50099 21LeuH 19HisHa 2.68310e+04 1.95151e+05 box sum
127 112 8.19979 4.49664 19HisH 19HisHa 2.78875e+05 2.08877e+06 box sum
128 113 8.48820 4.46574 9AlaH 6ProHa 4.37040e+04 3.12972e+05 box sum
129 114 8.42550 4.41055 21LeuH 21LeuHa 1.89261e+05 1.29950e+06 box sum
130 115 8.35061 4.35165 11LeuH 11LeuHa 2.72345e+05 1.89905e+06 box sum
131 116 8.20550 4.30269 17LeuH 17LeuHa 1.68556e+05 1.28008e+06 box sum
132 117 8.35147 4.27552 11LeuH 8LeuHa 9.28550e+04 6.88814e+05 box sum
133 118 8.48811 4.22802 9AlaH 9AlaHa 2.44738e+05 1.74622e+06 box sum
134 119 8.39016 4.22224 12MetH 9AlaHa 6.01220e+04 4.66656e+05 box sum
135 120 8.19922 4.13606 19HisH 18GlnHa 9.60350e+04 7.19995e+05 box sum
136 121 8.42578 4.13076 21LeuH 18GlnHa 4.41720e+04 3.17635e+05 box sum
137 122 7.95093 4.56140 14LeuH 14LeuHa 2.88883e+05 2.12351e+06 box sum
138 123 7.78468 4.48711 22ThrH 22ThrH* 2.61027e+05 2.09047e+06 box sum
139 124 7.91231 4.28693 13SerH 13Ser(Ha/Hbb) 1.52153e+05 1.20086e+06 box sum
140 125 8.02888 4.27886 23AsnH 20LysHa 2.95700e+04 2.22381e+05 box sum
141 126 7.95459 4.28160 (14Leu/8Leu)H (13Ser/8Leu)Ha 2.84357e+05 2.09868e+06 box sum
142 127 7.91127 4.20997 13SerH 13SerHba 1.38473e+05 1.09858e+06 box sum
143 129 7.64898 4.53315 4AlaH 4AlaHa 1.90240e+05 1.40084e+06 box sum
144 130 7.48841 4.52140 16PheH 16PheHa 2.07924e+05 1.58568e+06 box sum
145 131 7.43795 4.51757 16PheHd* 16PheHa 1.68504e+05 1.18724e+06 box sum
146 132 7.38310 4.46918 7LeuH 6ProHa 1.25969e+05 9.65378e+05 box sum
147 133 7.38374 4.40491 7LeuH 7LeuHa 2.75377e+05 2.07777e+06 box sum
148 134 7.48883 4.29123 16PheH 13SerHa 2.42960e+04 1.92542e+05 box sum
149 135 7.43887 4.28530 16PheHd* 13SerHa 6.83690e+04 4.67480e+05 box sum
150 136 8.21269 4.91499 2LeuH 2LeuHa 1.18291e+05 8.52598e+05 box sum
151 137 8.02995 4.83918 23AsnH 23AsnHa 1.94917e+05 1.48940e+06 box sum
152 138 8.35077 8.07201 11LeuH 10GlyH 2.32007e+05 1.62376e+06 box sum
153 139 8.32030 8.18657 20LysH 19HisH 8.96090e+04 6.13147e+05 box sum
154 140 8.42793 8.32090 21LeuH 20LysH 8.03330e+04 4.71575e+05 box sum
155 141 8.48789 7.38158 9AlaH 7LeuH 3.90570e+04 2.95297e+05 box sum
156 142 7.91728 7.64633 5LeuH 4AlaH 1.47420e+05 9.98397e+05 box sum
157 143 7.91726 7.38768 5LeuH 7LeuH 3.28050e+04 2.19974e+05 box sum
158 144 7.43529 7.52780 16PheHd* 16PheHe* 2.18740e+06 1.06042e+07 box sum
159 145 7.78033 8.02661 22ThrH 23AsnH 1.83552e+05 1.40877e+06 box sum
160 146 7.43827 8.19722 16PheHd* 17LeuH 3.91180e+04 2.18763e+05 box sum
161 147 7.78113 8.42949 22ThrH 21LeuH 2.00924e+05 1.56953e+06 box sum
162 148 6.82145 7.60804 23AsnHd2a 23AsnHd2b 3.95986e+06 2.66020e+07 box sum
163 149 6.59806 7.10393 18GlnHe2a 18GlnHe2b 2.82009e+06 1.91153e+07 box sum
164 150 7.10491 2.62282 18GlnHe2b 18GlnHgb 3.42340e+04 2.34087e+05 box sum
165 151 7.10441 1.09994 18GlnHe2b 14LeuHda* 2.71750e+04 2.11630e+05 box sum
166 152 6.59684 1.09743 18GlnHe2a 14LeuHda* 2.91510e+04 2.19518e+05 box sum
167 153 4.35085 1.18003 11LeuHa 1ValHga* 7.14590e+04 5.72519e+05 box sum
168 154 4.30366 1.12178 17LeuHa 17LeuHdb* 2.15397e+05 1.78628e+06 box sum
169 155 4.40631 1.05255 21LeuHa 21LeuHd* 1.97691e+05 1.64070e+06 box sum
170 156 4.13840 1.05541 18GlnHa 21LeuHd* 7.75380e+04 6.02598e+05 box sum
171 157 4.27888 1.59895 20LysHa 20LysHga 9.19840e+04 7.83506e+05 box sum
172 158 4.51936 1.58113 16PheHa 20LysHga 4.14590e+04 3.07229e+05 box sum
173 159 4.03791 1.58850 10GlyHa* 9AlaHb* 6.61860e+04 5.26384e+05 box sum
174 160 3.88173 1.58413 6ProHdb 4AlaHb* 4.53740e+04 3.61245e+05 box sum
175 161 4.03119 1.12889 3ProHdb (7Leu/2Leu)(Hdb*/Hd*) 4.10370e+04 3.49485e+05 box sum
176 162 3.96765 1.11018 15ProHdb 14LeuHda* 3.33160e+04 2.78357e+05 box sum
177 163 3.87345 1.09769 6ProHdb 5LeuHda* 3.63570e+04 2.99305e+05 box sum
178 164 3.84728 1.10052 15ProHda 14LeuHda* 2.86390e+04 2.38953e+05 box sum
179 165 4.51866 1.80911 16PheHa 15ProHba 2.97230e+04 2.33822e+05 box sum
180 166 4.40784 1.76142 21LeuHa 21LeuHba 9.60230e+04 7.88961e+05 box sum
181 167 4.34916 1.75888 11LeuHa 11LeuHba 1.87296e+05 1.56426e+06 box sum
182 168 4.28154 1.75809 8LeuHa 11LeuHba 6.10980e+04 4.81285e+05 box sum
183 169 3.79682 1.85420 6ProHda 5LeuHb* 1.27842e+05 1.02312e+06 box sum
184 170 3.79564 1.78131 3ProHda 2LeuHba 6.73690e+04 4.40770e+05 box sum
185 171 4.02300 1.78011 3ProHdb 2LeuHba 3.54830e+04 2.86946e+05 box sum
186 172 3.96581 1.75931 15ProHdb 14LeuHba 8.69380e+04 7.17748e+05 box sum
187 173 4.23124 1.86883 9AlaHa 8LeuHg 4.08440e+04 3.40446e+05 box sum
188 174 4.13686 1.41645 18GlnHa 22ThrHg2* 3.32950e+04 2.66180e+05 box sum
189 175 4.13915 1.75940 18GlnHa 21LeuHba 3.29190e+04 2.53333e+05 box sum
190 176 3.41989 1.11609 16PheHb* 17LeuHda* 2.87630e+04 2.37777e+05 box sum
191 177 4.13718 2.62323 18GlnHa 18GlnHgb 4.20670e+04 3.16595e+05 box sum
192 178 4.13725 2.45137 18GlnHa 18GlnHga 8.12780e+04 6.26475e+05 box sum
193 179 4.22704 2.33753 9AlaHa 12MetHg* 1.58531e+05 1.27964e+06 box sum
194 180 4.14059 2.26306 18GlnHa 18GlnHb* 2.97848e+05 2.38722e+06 box sum
195 181 4.46763 2.24070 6ProHa 6ProHgb 5.69420e+04 4.23213e+05 box sum
196 182 4.50124 2.12726 15ProHa (15Pro/14Leu)(Hga/Hbb) 3.73620e+04 2.95535e+05 box sum
197 183 4.55695 2.11489 14LeuHa 14LeuHbb 3.21760e+04 2.43536e+05 box sum
198 184 4.34363 2.08897 11LeuHa 11LeuHbb 1.39308e+05 1.17629e+06 box sum
199 185 4.28027 2.07865 20LysHa 20LysHba 2.89703e+05 2.41871e+06 box sum
200 186 4.40055 1.99746 21LeuHa 21Leu(Hg/Hbb) 7.93910e+04 6.40926e+05 box sum
201 187 4.13880 1.98739 18GlnHa 21LeuHbb 1.06009e+05 8.30704e+05 box sum
202 188 3.79307 2.23638 6ProHda 6ProHgb 2.93140e+05 2.10777e+06 box sum
203 189 3.96689 2.22300 15ProHdb 15ProHgb 1.05430e+05 8.60161e+05 box sum
204 190 4.02969 2.21853 3ProHdb 3ProHgb 1.39671e+05 1.14773e+06 box sum
205 191 4.04795 2.13492 10GlyHa* (15Pro/6Pro)Hga 2.50780e+04 9.52530e+04 box sum
206 192 3.96788 2.12026 15ProHdb 15ProHga 2.25877e+05 1.81883e+06 box sum
207 193 3.87658 2.12223 6ProHdb 6ProHga 1.78619e+05 1.49602e+06 box sum
208 194 4.03628 2.10210 3ProHdb 3ProHba 3.15070e+04 2.36619e+05 box sum
209 195 3.88335 1.99062 6ProHdb 6ProHba 4.77330e+04 3.79402e+05 box sum
210 196 3.88251 2.48228 6ProHdb 6ProHbb 4.09590e+04 3.30350e+05 box sum
211 197 3.97972 2.44818 15ProHdb 15ProHbb 6.78300e+04 3.59586e+05 box sum
212 198 3.86712 2.44651 15ProHda 15ProHbb 3.33260e+04 2.69934e+05 box sum
213 199 4.22665 2.92052 9AlaHa 12MetHbb 2.58130e+04 2.09369e+05 box sum
214 200 4.46846 3.88782 6ProHa 6ProHdb 3.68410e+04 2.67706e+05 box sum
215 201 4.46773 3.79221 6ProHa 6ProHda 2.91140e+04 1.95092e+05 box sum
216 202 4.51397 3.52320 16PheHa 19HisHbb 3.46880e+04 2.79874e+05 box sum
217 203 4.20878 4.29431 13SerHba 13SerHbb 9.72893e+05 7.46559e+06 box sum
218 205 3.79075 4.54558 6ProHda (4Ala/5Leu)Ha 7.98520e+04 6.34878e+05 box sum
219 206 3.42425 4.52333 16PheHb* 16PheHa 3.92299e+05 3.13735e+06 box sum
220 207 3.42387 4.29405 16PheHb* 13SerHa 3.41690e+04 2.65630e+05 box sum
221 208 4.02283 4.91459 3ProHdb 2LeuHa 2.58235e+05 2.00205e+06 box sum
222 209 3.79722 4.91284 3ProHda 2LeuHa 1.92127e+05 1.33055e+06 box sum
223 210 2.97913 4.83986 23AsnHbb 23AsnHa 1.53990e+05 1.01180e+06 box sum
224 211 2.91328 4.51496 12MetHbb 12MetHa 8.05450e+04 6.10373e+05 box sum
225 212 2.78821 4.51502 12MetHba 12MetHa 1.15973e+05 8.60091e+05 box sum
226 213 2.33522 4.51351 12MetHg* 12MetHa 2.88195e+05 2.34397e+06 box sum
227 214 2.48710 4.46746 6ProHbb 6ProHa 2.35650e+05 1.89330e+06 box sum
228 215 2.39830 3.96501 1ValHb 1ValHa 6.89030e+04 5.23322e+05 box sum
229 216 2.23840 3.87935 6ProHgb 6ProHdb 1.71559e+05 1.32053e+06 box sum
230 217 2.12030 4.59049 3ProHba 3ProHa 1.39937e+05 1.10092e+06 box sum
231 218 2.04717 4.56703 14LeuHg 14LeuHa 5.54960e+04 4.54050e+05 box sum
232 219 1.75038 4.56594 14LeuHba 14LeuHa 7.22870e+04 5.78866e+05 box sum
233 220 2.00043 4.56329 17LeuHbb 14LeuHa 7.73410e+04 6.20712e+05 box sum
234 221 1.92116 4.54465 7LeuHb* 4AlaHa 1.27887e+05 1.05571e+06 box sum
235 222 1.85633 4.54536 5Leu(Hb*/Hg) 5LeuHa 3.99988e+05 3.15940e+06 box sum
236 223 1.58161 4.53667 4AlaHb* 4AlaHa 3.92510e+05 3.07999e+06 box sum
237 224 2.12184 4.47630 6ProHga 6ProHa 1.15074e+05 9.13141e+05 box sum
238 225 1.98875 4.46697 6ProHba 6ProHa 8.85750e+04 7.19584e+05 box sum
239 226 1.59076 4.46859 9AlaHb* 6ProHa 1.97524e+05 1.54882e+06 box sum
240 227 1.91567 4.40387 7LeuHb* 7LeuHa 3.76113e+05 2.97808e+06 box sum
241 228 1.83126 4.40154 (7Leu/2Leu)(Hg/Hbb) 7LeuHa 6.13590e+04 4.85562e+05 box sum
242 229 2.10950 4.34927 15ProHga 11LeuHa 7.93010e+04 6.35512e+05 box sum
243 230 2.01480 4.34701 11LeuHg 11LeuHa 1.00669e+05 8.76378e+05 box sum
244 231 1.99861 4.30241 17Leu(Hg/Hbb) 17LeuHa 1.50548e+05 1.24039e+06 box sum
245 232 2.11777 4.28466 20LysHbb 20LysHa 1.51948e+05 1.24707e+06 box sum
246 233 1.86837 4.28270 8LeuHg 8LeuHa 2.11576e+05 1.70396e+06 box sum
247 234 1.59086 4.22778 9AlaHb* 9AlaHa 6.67790e+05 5.02625e+06 box sum
248 235 1.81355 4.91352 2LeuHbb 2LeuHa 1.06794e+05 7.66133e+05 box sum
249 236 1.77671 4.91113 2LeuHba 2LeuHa 5.91060e+04 4.49032e+05 box sum
250 237 1.81218 3.96332 15ProHba 15ProHdb 4.59720e+04 3.76690e+05 box sum
251 238 2.22361 3.79806 (3Pro/6Pro)Hgb (6Pro/3Pro)Hda 2.91101e+05 1.99567e+06 box sum
252 239 2.48597 3.78785 6ProHbb (6Pro/3Pro)Hda 3.06680e+04 2.35850e+05 box sum
253 240 1.85691 3.88500 5LeuHb* 6ProHdb 2.61327e+05 2.02917e+06 box sum
254 241 1.74768 3.84700 14LeuHba 15ProHda 2.74700e+04 2.12990e+05 box sum
255 242 1.82491 3.80105 2LeuHbb 3ProHda 6.21720e+04 5.19102e+05 box sum
256 243 2.12475 3.79352 3ProHga (3Pro/6Pro)Hda 1.49672e+05 1.20094e+06 box sum
257 244 1.58163 3.79215 4AlaHb* 6ProHda 1.47065e+05 1.10933e+06 box sum
258 245 1.99069 3.78892 6ProHba 3ProHda 7.72070e+04 6.24987e+05 box sum
259 246 2.98002 2.84345 23AsnHbb 23AsnHba 2.19364e+06 1.57745e+07 box sum
260 247 2.91717 2.78075 12MetHbb 12MetHba 1.85742e+06 1.42314e+07 box sum
261 248 2.33060 2.77804 12MetHg* 12MetHba 4.83972e+05 3.45862e+06 box sum
262 249 2.45923 2.62119 18GlnHga 18GlnHgb 7.69890e+05 5.54053e+06 box sum
263 250 2.12287 2.41388 3ProHba 3ProHbb 4.82599e+05 3.71707e+06 box sum
264 251 2.92315 2.32782 12MetHbb 12MetHg* 2.48708e+05 1.85888e+06 box sum
265 252 2.40205 2.21332 3ProHbb 3ProHgb 3.61058e+05 2.42414e+06 box sum
266 253 2.49002 2.12623 6ProHbb 6ProHga 5.34830e+04 3.34730e+05 box sum
267 254 2.48830 1.98909 6ProHbb 6ProHba 8.25790e+05 6.62538e+06 box sum
268 255 2.43967 1.80190 15ProHbb 15ProHba 6.52276e+05 5.40024e+06 box sum
269 256 1.99925 2.23980 6ProHba 6ProHgb 1.11919e+05 7.15555e+05 box sum
270 257 2.12464 2.22888 {*}Hga {*}Hgb 1.99757e+06 1.50886e+07 box sum
271 258 1.79738 2.22809 15ProHba 15ProHgb 7.32560e+04 5.47826e+05 box sum
272 259 2.00115 2.11889 6ProHba 6ProHga 2.01833e+05 1.37705e+06 box sum
273 260 1.75926 2.09276 11LeuHba 11LeuHbb 7.81614e+05 6.03161e+06 box sum
274 261 1.76001 1.99261 21LeuHba 21LeuHbb 6.90598e+05 5.12482e+06 box sum
275 262 1.59244 2.22270 4AlaHb* (6Pro/3Pro)Hgb 2.98100e+04 1.77054e+05 box sum
276 263 1.62976 2.07703 20LysHgb 20LysHba 1.82697e+05 1.53837e+06 box sum
277 264 1.59678 2.06516 20LysHga 20LysHba 5.87710e+04 4.57209e+05 box sum
278 265 1.63589 1.83951 20LysHgb 20LysHda 3.48972e+05 2.63713e+06 box sum
279 266 2.12176 1.61189 20LysHbb 20LysHg* 9.86950e+04 6.32614e+05 box sum
280 267 3.13755 1.87338 20LysHe* 20LysHdb 1.01035e+05 6.48359e+05 box sum
281 268 3.15204 1.83153 20LysHe* 20LysHda 9.45820e+04 6.73710e+05 box sum
282 269 3.15108 1.62087 20LysHe* 20LysHgb 4.35140e+04 3.44134e+05 box sum
283 270 3.16105 1.61021 20LysHe* 20LysHga 3.40470e+04 2.50523e+05 box sum
284 271 2.23511 2.12081 (6Pro/15Pro)Hgb (6Pro/15Pro)Hga 1.63363e+06 1.10384e+07 box sum
285 272 2.40121 1.13662 1ValHb 2LeuHd* 8.18570e+04 5.27438e+05 box sum
286 273 2.91231 1.09877 12MetHbb 14LeuHda* 3.21410e+04 2.70282e+05 box sum
287 274 2.33175 1.09506 12MetHg* 8LeuHdb* 3.87034e+05 2.13541e+06 box sum
288 275 2.34836 1.04215 12MetHgb (8Leu/11Leu)Hda* 2.60490e+04 1.52418e+05 box sum
289 276 1.78898 1.13787 2LeuHba 2LeuHd* 1.08592e+05 8.11316e+05 box sum
290 277 1.99703 1.12912 17LeuHg 17LeuHd* 1.68623e+05 1.38395e+06 box sum
291 278 1.95179 1.12688 17LeuHba 17LeuHd* 2.55669e+05 2.13414e+06 box sum
292 279 1.85582 1.08800 5Leu(Hg/Hba) 5LeuHda* 2.97122e+05 2.36807e+06 box sum
293 280 2.09181 1.07560 11LeuHbb 11LeuHdb* 2.24036e+05 1.82258e+06 box sum
294 281 1.91408 1.07495 7LeuHb* 7LeuHda* 4.61387e+05 3.88586e+06 box sum
295 282 1.99445 1.05388 21Leu(Hg/Hbb) 21LeuHd* 4.60785e+05 3.65918e+06 box sum
296 283 1.77846 1.05889 2LeuHba 11LeuHdb* 3.66865e+05 2.77374e+06 box sum
297 284 1.76006 1.05837 21LeuHba 21LeuHd* 4.21503e+05 3.19455e+06 box sum
298 285 1.81998 1.03599 (7Leu/2Leu)(Hg/Hbb) 11LeuHda* 3.15800e+04 2.22297e+05 box sum
299 286 1.41874 4.48746 22ThrHg2* 22ThrH* 7.62007e+05 5.51088e+06 box sum
300 287 1.17882 4.56753 14LeuHdb* 14LeuHa 1.09631e+05 8.10685e+05 box sum
301 288 1.09762 4.55762 14LeuHda* 14LeuHa 5.48966e+05 4.01506e+06 box sum
302 289 1.14943 4.54632 (7Leu/5Leu)Hdb* (4Ala/5Leu)Ha 1.39921e+05 1.01915e+06 box sum
303 290 1.18520 4.49187 1ValHga* 15ProHa 2.43630e+04 1.46724e+05 box sum
304 292 1.11036 4.47303 14LeuHda* 6ProHa 4.85110e+04 3.07693e+05 box sum
305 293 1.13991 4.41022 (7Leu/2Leu)Hdb* 7LeuHa 1.27251e+05 8.92224e+05 box sum
306 294 1.08049 4.39994 11LeuHdb* 7LeuHa 1.42157e+05 1.08065e+06 box sum
307 295 1.04344 4.35438 11LeuHda* 11LeuHa 4.51851e+05 3.50253e+06 box sum
308 296 1.14050 4.29053 17LeuHd* 17LeuHa 1.37037e+05 1.06565e+06 box sum
309 297 1.09383 4.28049 8LeuHdb* 8LeuHa 1.04303e+05 7.93536e+05 box sum
310 298 1.13106 4.90963 2LeuHd* 2LeuHa 1.04634e+05 7.82295e+05 box sum
311 299 4.40486 8.06886 7LeuHa 10GlyH 2.74350e+04 2.23811e+05 box sum
312 300 4.53757 7.91760 5LeuHa 5LeuH 1.09861e+05 8.70579e+05 box sum
313 301 3.48925 7.43882 19HisHba 19HisHd2 2.97170e+04 2.42471e+05 box sum
314 302 3.48888 8.31946 19HisHba 20LysH 5.93180e+04 4.73050e+05 box sum
315 303 4.02251 8.20988 3ProHdb 2LeuH 3.36280e+04 2.63632e+05 box sum
316 304 3.53180 8.19553 19HisHbb 19HisH 1.72183e+05 1.34633e+06 box sum
317 305 2.97825 8.02535 23AsnHbb 23AsnH 6.12460e+04 4.35671e+05 box sum
318 307 2.33714 7.91010 12MetHg* 13SerH 7.53770e+04 6.14435e+05 box sum
319 308 1.86817 8.48172 8LeuHg 9AlaH 8.08770e+04 6.50187e+05 box sum
320 309 1.81179 8.21799 2LeuHbb 2LeuH 8.45910e+04 6.81265e+05 box sum
321 310 1.78802 8.21762 2LeuHba 2LeuH 6.44250e+04 5.16393e+05 box sum
322 311 1.94945 8.21601 17LeuHba 17LeuH 1.29723e+05 1.09007e+06 box sum
323 312 1.84713 8.21391 2LeuHg 2LeuH 5.17830e+04 3.95396e+05 box sum
324 313 1.60042 8.20121 20LysHga (19His/17Leu)H 2.97820e+04 2.20449e+05 box sum
325 314 1.58237 7.64593 4AlaHb* 4AlaH 3.91569e+05 2.93506e+06 box sum
326 315 2.12531 8.42814 20LysHbb 21LeuH 4.23970e+04 3.57336e+05 box sum
327 316 2.06384 8.42664 20LysHba 21LeuH 4.21450e+04 3.33954e+05 box sum
328 317 2.13844 8.01675 20LysHbb 23AsnH 2.81020e+04 1.41950e+05 box sum
329 318 2.11344 7.94957 14LeuHbb 14LeuH 1.37551e+05 1.13714e+06 box sum
330 319 2.03813 7.94735 14LeuHg 14LeuH 7.15340e+04 6.01763e+05 box sum
331 320 8.70759 1.98355 18GlnH 17LeuHbb 9.11840e+04 7.35032e+05 box sum
332 322 8.48795 4.54734 9AlaH 5LeuHa 4.40290e+04 3.16488e+05 box sum
333 323 8.35082 1.58888 11LeuH 9AlaHb* 3.66210e+04 2.67446e+05 box sum
334 326 7.64732 3.79868 4AlaH 3ProHda 6.34850e+04 4.48239e+05 box sum
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
2 . . H 1 all . . 9803.922 . . . . . . . 21099 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
2 $CCPNMR . . 21099 1
stop_
save_