Content for NMR-STAR saveframe, "spectral_peak_list_1"

    save_spectral_peak_list_1
   _Spectral_peak_list.Sf_category                      spectral_peak_list
   _Spectral_peak_list.Sf_framecode                     spectral_peak_list_1
   _Spectral_peak_list.Entry_ID                         34513
   _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          1
   _Spectral_peak_list.Chem_shift_reference_label       $chem_shift_reference_1
   _Spectral_peak_list.Experiment_ID                    17
   _Spectral_peak_list.Experiment_name                  '3D 1H-15N NOESY-HSQC'
   _Spectral_peak_list.Experiment_class                 .
   _Spectral_peak_list.Experiment_type                  .
   _Spectral_peak_list.Number_of_spectral_dimensions    3
   _Spectral_peak_list.Chemical_shift_list              .
   _Spectral_peak_list.Assigned_chem_shift_list_ID      1
   _Spectral_peak_list.Assigned_chem_shift_list_label   $assigned_chemical_shifts_1
   _Spectral_peak_list.Details                          .
   _Spectral_peak_list.Text_data_format                 text
   _Spectral_peak_list.Text_data
;
label dataset sw sf
HC C H
None
{4261.36 } {15290.52 } {8547.01 }
{949.7959 } {238.8346 } {949.7959 }
HC.L  HC.P  HC.W  HC.B  C.L  C.P  C.W  C.B  H.L  H.P  H.W  H.B  vol  int  stat  flag0
14 {162.HB#} 1.310 0.050 0.050    {162.CB} 19.270 0.050 0.050    {160.HB} 4.196 0.050 0.050    806566.31250 61984.25000 1  0
16 {161.HB1} 3.799 0.050 0.050    {161.CB} 63.707 0.050 0.050    {161.HA} 4.396 0.050 0.050    888132.75000 80767.15625 1  0
17 {161.HB1} 3.799 0.050 0.050    {161.CB} 64.005 0.050 0.050    {162.HA} 4.280 0.050 0.050    641223.21875 54078.18750 1  0
18 {161.HB1} 3.795 0.050 0.050    {161.CB} 63.723 0.050 0.050    {160.HG2#} 1.178 0.050 0.050    783514.21875 52011.25000 1  0
20 {160.HG2#} 1.148 0.050 0.050    {160.CG2} 21.566 0.050 0.050    {159.HB2} 1.920 0.050 0.050    888548.12500 65820.81250 1  0
23 {160.HG2#} 1.152 0.050 0.050    {160.CG2} 21.423 0.050 0.050    {160.HA} 4.299 0.050 0.050    2311389.46875 83688.84375 1  0
24 {160.HG2#} 1.150 0.050 0.050    {160.CG2} 21.423 0.050 0.050    {160.HB} 4.195 0.050 0.050    2012294.90625 131582.03125 1  0
28 {127.HG2#} 1.151 0.050 0.050    {127.CG2} 21.714 0.050 0.050    {128.HA} 4.628 0.050 0.050    592179.28125 49805.34375 1  0
29 {127.HG2#} 1.148 0.050 0.050    {127.CG2} 21.777 0.050 0.050    {129.HA} 4.482 0.050 0.050    467550.37500 48980.06250 1  0
38 {159.HD2} 3.598 0.050 0.050    {159.CD} 49.682 0.050 0.050    {158.HA2} 4.064 0.050 0.050    753907.62500 72165.65625 1  0
39 {159.HD2} 3.597 0.050 0.050    {159.CD} 49.682 0.050 0.050    {158.HA1} 4.032 0.050 0.050    834002.75000 69376.87500 1  0
40 {159.HD1} 3.575 0.050 0.050    {159.CD} 49.682 0.050 0.050    {158.HA2} 4.062 0.050 0.050    793365.12500 56093.68750 1  0
41 {159.HD1} 3.575 0.050 0.050    {159.CD} 49.682 0.050 0.050    {158.HA1} 4.032 0.050 0.050    985747.12500 58430.93750 1  0
42 {159.HD2} 3.598 0.050 0.050    {159.CD} 49.674 0.050 0.050    {159.HG#} 1.978 0.050 0.050    955202.40625 54821.03125 1  0
54 {156.HB#} 3.810 0.050 0.050    {156.CB} 63.731 0.050 0.050    {152.HD1#} 0.700 0.050 0.050    4697713.90625 339453.90625 1  0
55 {156.HB#} 3.806 0.050 0.050    {156.CB} 63.679 0.050 0.050    {153.HG1#} 0.855 0.050 0.050    506410.40625 54854.90625 1  0
56 {156.HB#} 3.809 0.050 0.050    {156.CB} 63.734 0.050 0.050    {151.HG2#} 1.192 0.050 0.050    813166.56250 67610.15625 1  0
57 {156.HB2} 3.810 0.050 0.050    {156.CB} 63.730 0.050 0.050    {155.HB#} 1.405 0.050 0.050    1918057.84375 147130.75000 1  0
58 {156.HB#} 3.810 0.050 0.050    {156.CB} 63.673 0.050 0.050    {157.HB#} 1.371 0.050 0.050    1256185.50000 105086.93750 1  0
60 {156.HB#} 3.821 0.050 0.050    {156.CB} 63.646 0.050 0.050    {152.HG} 1.704 0.050 0.050    540805.46875 49479.09375 1  0
61 {156.HB#} 3.806 0.050 0.050    {156.CB} 63.736 0.050 0.050    {159.HB2} 1.888 0.050 0.050    555862.18750 52681.59375 1  0
62 {156.HB#} 3.811 0.050 0.050    {156.CB} 63.719 0.050 0.050    {156.HA} 4.294 0.050 0.050    1279703.93750 98592.78125 1  0
63 {156.HB#} 3.813 0.050 0.050    {156.CB} 63.673 0.050 0.050    {157.HA} 4.315 0.050 0.050    1262881.78125 89843.87500 1  0
66 {155.HB#} 1.405 0.050 0.050    {155.CB} 18.447 0.050 0.050    {156.HA} 4.294 0.050 0.050    1542282.93750 84662.40625 1  0
67 {155.HB#} 1.404 0.050 0.050    {155.CB} 18.447 0.050 0.050    {155.HA} 4.159 0.050 0.050    3267149.18750 166017.56250 1  0
68 {155.HB#} 1.405 0.050 0.050    {155.CB} 18.447 0.050 0.050    {152.HA} 4.029 0.050 0.050    2526109.46875 132413.84375 1  0
69 {155.HB#} 1.408 0.050 0.050    {155.CB} 18.421 0.050 0.050    {156.HB#} 3.800 0.050 0.050    2260320.56250 121924.40625 1  0
70 {155.HB#} 1.404 0.050 0.050    {155.CB} 18.447 0.050 0.050    {151.HA} 3.830 0.050 0.050    2239819.09375 102532.18750 1  0
71 {155.HB#} 1.413 0.050 0.050    {155.CB} 18.430 0.050 0.050    {153.HA} 3.600 0.050 0.050    1075315.93750 63907.56250 1  0
73 {155.HB#} 1.410 0.050 0.050    {155.CB} 18.612 0.050 0.050    {153.HG1#} 0.869 0.050 0.050    805428.93750 52248.34375 1  0
74 {155.HB#} 1.406 0.050 0.050    {155.CB} 18.447 0.050 0.050    {152.HD1#} 0.696 0.050 0.050    1354822.84375 72663.93750 1  0
75 {155.HB#} 1.406 0.050 0.050    {155.CB} 18.447 0.050 0.050    {152.HD2#} 0.723 0.050 0.050    1239066.40625 62639.15625 1  0
76 {153.HG1#} 0.823 0.050 0.050    {153.CG1} 21.297 0.050 0.050    {154.HB} 1.989 0.050 0.050    1642770.71875 92842.53125 1  0
78 {154.HG1#} 0.819 0.050 0.050    {154.CG1} 21.043 0.050 0.050    {154.HA} 3.710 0.050 0.050    1356603.75000 61223.62500 1  0
79 {154.HG1#} 0.821 0.050 0.050    {154.CG1} 21.043 0.050 0.050    {156.HB#} 3.803 0.050 0.050    1130977.56250 64327.93750 1  0
84 {154.HG2#} 0.813 0.050 0.050    {154.CG2} 21.681 0.050 0.050    {154.HB} 1.981 0.050 0.050    1669327.68750 92673.15625 1  0
86 {154.HG2#} 0.812 0.050 0.050    {154.CG2} 21.729 0.050 0.050    {154.HA} 3.726 0.050 0.050    1853405.09375 102158.93750 1  0
88 {154.HB} 1.980 0.050 0.050    {154.CB} 31.532 0.050 0.050    {153.HG1#} 0.843 0.050 0.050    1426026.43750 72283.53125 1  0
89 {154.HB} 1.988 0.050 0.050    {154.CB} 31.482 0.050 0.050    {154.HG1#} 0.823 0.050 0.050    1359022.31250 65341.53125 1  0
90 {154.HA} 3.718 0.050 0.050    {154.CA} 65.131 0.050 0.050    {154.HG1#} 0.819 0.050 0.050    1061359.50000 62474.71875 1  0
93 {153.HG2#} 0.948 0.050 0.050    {153.CG2} 22.815 0.050 0.050    {152.HD2#} 0.733 0.050 0.050    10993801.87500 507953.00000 1  0
95 {153.HG2#} 0.946 0.050 0.050    {153.CG2} 22.815 0.050 0.050    {152.HD1#} 0.696 0.050 0.050    10993801.87500 719210.12500 1  0
96 {153.HG2#} 0.949 0.050 0.050    {153.CG2} 22.771 0.050 0.050    {151.HG2#} 1.195 0.050 0.050    3237897.00000 216225.81250 1  0
97 {153.HG2#} 0.946 0.050 0.050    {153.CG2} 22.709 0.050 0.050    {157.HB#} 1.389 0.050 0.050    1189733.18750 86607.25000 1  0
99 {153.HG2#} 0.955 0.050 0.050    {153.CG2} 22.804 0.050 0.050    {152.HB2} 1.520 0.050 0.050    833404.90625 61643.12500 1  0
100 {153.HG2#} 0.947 0.050 0.050    {153.CG2} 22.787 0.050 0.050    {152.HG} 1.686 0.050 0.050    3496315.21875 246815.40625 1  0
101 {153.HG2#} 0.947 0.050 0.050    {153.CG2} 22.791 0.050 0.050    {148.HE#} 1.811 0.050 0.050    7635091.65625 475012.78125 1  0
102 {153.HG2#} 0.947 0.050 0.050    {153.CG2} 22.815 0.050 0.050    {152.HB1} 1.847 0.050 0.050    5692753.21875 326309.34375 1  0
104 {153.HG2#} 0.949 0.050 0.050    {153.CG2} 22.709 0.050 0.050    {154.HB} 1.978 0.050 0.050    502716.68750 50734.34375 1  0
105 {153.HG2#} 0.950 0.050 0.050    {153.CG2} 22.788 0.050 0.050    {148.HB2} 2.180 0.050 0.050    1659377.78125 105914.28125 1  0
107 {153.HG2#} 0.951 0.050 0.050    {153.CG2} 22.884 0.050 0.050    {148.HG1} 2.469 0.050 0.050    1943765.50000 110598.84375 1  0
108 {153.HG2#} 0.948 0.050 0.050    {153.CG2} 22.741 0.050 0.050    {148.HG2} 2.712 0.050 0.050    1334888.53125 88750.09375 1  0
111 {153.HG2#} 0.954 0.050 0.050    {153.CG2} 22.810 0.050 0.050    {153.HA} 3.618 0.050 0.050    869103.93750 53639.65625 1  0
114 {153.HG2#} 0.950 0.050 0.050    {153.CG2} 22.825 0.050 0.050    {152.HA} 4.010 0.050 0.050    1037380.34375 60677.90625 1  0
115 {153.HG2#} 0.949 0.050 0.050    {153.CG2} 22.825 0.050 0.050    {148.HA} 4.191 0.050 0.050    2874601.65625 173331.25000 1  0
116 {153.HG2#} 0.947 0.050 0.050    {153.CG2} 22.762 0.050 0.050    {151.HB} 4.369 0.050 0.050    1862810.81250 125763.56250 1  0
119 {153.HG1#} 0.859 0.050 0.050    {153.CG1} 21.253 0.050 0.050    {151.HB} 4.379 0.050 0.050    1743798.90625 106711.40625 1  0
121 {153.HG1#} 0.859 0.050 0.050    {153.CG1} 21.299 0.050 0.050    {148.HA} 4.183 0.050 0.050    1670283.81250 93606.28125 1  0
125 {153.HG1#} 0.861 0.050 0.050    {153.CG1} 21.244 0.050 0.050    {153.HA} 3.610 0.050 0.050    965423.93750 64093.59375 1  0
126 {153.HG1#} 0.859 0.050 0.050    {153.CG1} 21.271 0.050 0.050    {148.HG2} 2.705 0.050 0.050    818035.09375 48859.65625 1  0
127 {154.HG2#} 0.859 0.050 0.050    {154.CG2} 21.627 0.050 0.050    {148.HG1} 2.480 0.050 0.050    988972.53125 52749.34375 1  0
128 {153.HG1#} 0.859 0.050 0.050    {153.CG1} 21.153 0.050 0.050    {153.HB} 2.134 0.050 0.050    1438321.09375 79604.18750 1  0
129 {153.HG1#} 0.857 0.050 0.050    {153.CG1} 21.235 0.050 0.050    {148.HE#} 1.824 0.050 0.050    3324242.21875 173906.43750 1  0
130 {153.HG1#} 0.857 0.050 0.050    {153.CG1} 21.167 0.050 0.050    {152.HG} 1.685 0.050 0.050    1191893.71875 64159.00000 1  0
132 {153.HG1#} 0.859 0.050 0.050    {153.CG1} 21.343 0.050 0.050    {157.HB#} 1.368 0.050 0.050    904544.06250 59781.59375 1  0
133 {153.HG1#} 0.859 0.050 0.050    {153.CG1} 21.236 0.050 0.050    {151.HG2#} 1.198 0.050 0.050    4934870.03125 281083.21875 1  0
136 {153.HB} 2.144 0.050 0.050    {153.CB} 31.676 0.050 0.050    {148.HE#} 1.811 0.050 0.050    1009825.71875 53331.31250 1  0
137 {153.HA} 3.588 0.050 0.050    {153.CA} 66.012 0.050 0.050    {152.HD#} 0.706 0.050 0.050    3161178.65625 175554.18750 1  0
138 {152.HG} 1.695 0.050 0.050    {152.CG} 26.713 0.050 0.050    {152.HD2#} 0.725 0.050 0.050    2145410.75000 109112.65625 1  0
139 {152.HG} 1.693 0.050 0.050    {152.CG} 26.565 0.050 0.050    {152.HD1#} 0.696 0.050 0.050    1877918.71875 99526.34375 1  0
141 {152.HG} 1.694 0.050 0.050    {152.CG} 26.565 0.050 0.050    {153.HG2#} 0.948 0.050 0.050    1263816.09375 60312.75000 1  0
144 {152.HD2#} 0.723 0.050 0.050    {152.CD2} 25.662 0.050 0.050    {155.HB#} 1.405 0.050 0.050    942697.59375 55523.09375 1  0
145 {152.HD2#} 0.723 0.050 0.050    {152.CD2} 25.647 0.050 0.050    {152.HB2} 1.505 0.050 0.050    2644253.78125 169163.28125 1  0
146 {152.HD2#} 0.725 0.050 0.050    {152.CD2} 25.677 0.050 0.050    {152.HG} 1.698 0.050 0.050    3333112.25000 243891.40625 1  0
147 {152.HD2#} 0.725 0.050 0.050    {152.CD2} 25.617 0.050 0.050    {152.HB1} 1.836 0.050 0.050    3040018.18750 206337.87500 1  0
148 {152.HD2#} 0.718 0.050 0.050    {152.CD2} 25.655 0.050 0.050    {148.HB2} 2.164 0.050 0.050    943544.90625 74258.68750 1  0
149 {152.HD2#} 0.723 0.050 0.050    {152.CD2} 25.617 0.050 0.050    {153.HA} 3.597 0.050 0.050    2022833.81250 134844.15625 1  0
152 {152.HD2#} 0.721 0.050 0.050    {152.CD2} 25.662 0.050 0.050    {156.HB#} 3.808 0.050 0.050    1031214.34375 66915.28125 1  0
153 {152.HD2#} 0.724 0.050 0.050    {152.CD2} 25.641 0.050 0.050    {149.HA} 3.927 0.050 0.050    2012173.21875 131862.00000 1  0
154 {152.HD2#} 0.718 0.050 0.050    {152.CD2} 25.662 0.050 0.050    {152.HA} 4.031 0.050 0.050    1770795.18750 116437.15625 1  0
155 {152.HD2#} 0.721 0.050 0.050    {152.CD2} 25.592 0.050 0.050    {155.HA} 4.164 0.050 0.050    589150.46875 55913.18750 1  0
157 {152.HD1#} 0.697 0.050 0.050    {152.CD1} 23.210 0.050 0.050    {153.HG2#} 0.935 0.050 0.050    5994731.40625 370753.59375 1  0
160 {152.HD1#} 0.698 0.050 0.050    {152.CD1} 23.205 0.050 0.050    {152.HB2} 1.516 0.050 0.050    2204031.96875 147717.71875 1  0
161 {152.HD1#} 0.701 0.050 0.050    {152.CD1} 23.162 0.050 0.050    {155.HB#} 1.409 0.050 0.050    1137218.03125 73627.78125 1  0
162 {152.HD1#} 0.695 0.050 0.050    {152.CD1} 23.188 0.050 0.050    {152.HG} 1.698 0.050 0.050    2354362.43750 157802.34375 1  0
163 {152.HD1#} 0.696 0.050 0.050    {152.CD1} 23.195 0.050 0.050    {152.HB1} 1.843 0.050 0.050    2454324.09375 161515.03125 1  0
164 {152.HD1#} 0.702 0.050 0.050    {152.CD1} 23.304 0.050 0.050    {153.HB} 2.148 0.050 0.050    877627.71875 56066.87500 1  0
167 {152.HD1#} 0.697 0.050 0.050    {152.CD1} 23.168 0.050 0.050    {153.HA} 3.594 0.050 0.050    7572777.62500 515223.37500 1  0
168 {152.HD1#} 0.697 0.050 0.050    {152.CD1} 23.163 0.050 0.050    {156.HB#} 3.816 0.050 0.050    3969115.62500 267891.18750 1  0
169 {152.HD1#} 0.696 0.050 0.050    {152.CD1} 23.217 0.050 0.050    {152.HA} 4.017 0.050 0.050    2486282.00000 156803.06250 1  0
172 {152.HB1} 1.847 0.050 0.050    {152.CB} 42.237 0.050 0.050    {152.HD2#} 0.722 0.050 0.050    2021524.37500 104774.81250 1  0
177 {152.HB2} 1.503 0.050 0.050    {152.CB} 42.251 0.050 0.050    {152.HD2#} 0.723 0.050 0.050    2138119.12500 120139.34375 1  0
178 {152.HB2} 1.503 0.050 0.050    {152.CB} 42.251 0.050 0.050    {152.HD1#} 0.696 0.050 0.050    2078065.25000 116794.68750 1  0
183 {151.HG2#} 1.193 0.050 0.050    {151.CG2} 21.806 0.050 0.050    {152.HD2#} 0.722 0.050 0.050    694237.15625 52003.90625 1  0
185 {151.HG2#} 1.190 0.050 0.050    {151.CG2} 21.865 0.050 0.050    {154.HG2#} 0.806 0.050 0.050    2584415.81250 132850.31250 1  0
187 {151.HG2#} 1.190 0.050 0.050    {151.CG2} 21.865 0.050 0.050    {153.HG1#} 0.858 0.050 0.050    5476350.68750 316305.81250 1  0
188 {151.HG2#} 1.190 0.050 0.050    {151.CG2} 21.865 0.050 0.050    {153.HG2#} 0.946 0.050 0.050    3202963.65625 181964.21875 1  0
189 {151.HG2#} 1.191 0.050 0.050    {151.CG2} 21.781 0.050 0.050    {155.HB#} 1.410 0.050 0.050    1200732.93750 84577.96875 1  0
192 {151.HG2#} 1.188 0.050 0.050    {151.CG2} 21.729 0.050 0.050    {153.HA} 3.618 0.050 0.050    955251.15625 65538.18750 1  0
193 {151.HG2#} 1.190 0.050 0.050    {151.CG2} 21.797 0.050 0.050    {156.HB#} 3.810 0.050 0.050    1527784.37500 93319.56250 1  0
195 {151.HG2#} 1.192 0.050 0.050    {151.CG2} 21.842 0.050 0.050    {151.HB} 4.361 0.050 0.050    1856246.59375 117127.71875 1  0
196 {150.HB#} 3.210 0.050 0.050    {150.CB} 29.283 0.050 0.050    {148.HE#} 1.809 0.050 0.050    1120343.53125 61847.87500 1  0
197 {150.HA} 4.142 0.050 0.050    {150.CA} 60.443 0.050 0.050    {148.HE#} 1.801 0.050 0.050    1019153.28125 57280.75000 1  0
198 {149.HG} 1.717 0.050 0.050    {149.CG} 26.793 0.050 0.050    {149.HD2#} 0.864 0.050 0.050    1155132.81250 51972.75000 1  0
199 {149.HG} 1.716 0.050 0.050    {149.CG} 26.793 0.050 0.050    {149.HD1#} 0.739 0.050 0.050    1664691.21875 77197.56250 1  0
200 {149.HD2#} 0.866 0.050 0.050    {149.CD2} 27.812 0.050 0.050    {149.HD1#} 0.741 0.050 0.050    11720096.59375 718464.37500 1  0
202 {149.HD2#} 0.864 0.050 0.050    {149.CD2} 27.860 0.050 0.050    {149.HG} 1.734 0.050 0.050    3277018.84375 180780.59375 1  0
203 {149.HD2#} 0.867 0.050 0.050    {149.CD2} 27.697 0.050 0.050    {146.HB1} 1.834 0.050 0.050    2726297.21875 174431.50000 1  0
204 {149.HD2#} 0.865 0.050 0.050    {149.CD2} 27.719 0.050 0.050    {145.HB} 1.983 0.050 0.050    1289380.68750 65295.59375 1  0
205 {149.HD2#} 0.871 0.050 0.050    {149.CD2} 27.702 0.050 0.050    {148.HB2} 2.184 0.050 0.050    1296543.56250 68741.62500 1  0
206 {149.HD2#} 0.867 0.050 0.050    {149.CD2} 27.763 0.050 0.050    {145.HA} 3.408 0.050 0.050    2812857.15625 167038.40625 1  0
208 {149.HD2#} 0.859 0.050 0.050    {149.CD2} 27.734 0.050 0.050    {148.HA} 4.192 0.050 0.050    916901.59375 52890.31250 1  0
212 {149.HD1#} 0.740 0.050 0.050    {149.CD1} 25.677 0.050 0.050    {152.HB2} 1.504 0.050 0.050    1716040.40625 115885.65625 1  0
213 {149.HD1#} 0.739 0.050 0.050    {149.CD1} 25.677 0.050 0.050    {146.HB2} 1.527 0.050 0.050    1779566.65625 114885.53125 1  0
214 {149.HD1#} 0.743 0.050 0.050    {149.CD1} 25.661 0.050 0.050    {149.HG} 1.716 0.050 0.050    4597984.09375 318507.25000 1  0
215 {149.HD1#} 0.740 0.050 0.050    {149.CD1} 25.677 0.050 0.050    {148.HB1} 1.784 0.050 0.050    3147083.40625 202333.71875 1  0
216 {149.HD1#} 0.739 0.050 0.050    {149.CD1} 25.677 0.050 0.050    {146.HB1} 1.836 0.050 0.050    2722650.59375 174715.78125 1  0
217 {149.HD1#} 0.744 0.050 0.050    {149.CD1} 25.671 0.050 0.050    {148.HB2} 2.206 0.050 0.050    1036742.46875 80284.59375 1  0
218 {149.HD1#} 0.741 0.050 0.050    {149.CD1} 25.667 0.050 0.050    {145.HA} 3.402 0.050 0.050    1588093.21875 112082.84375 1  0
219 {149.HD1#} 0.740 0.050 0.050    {149.CD1} 25.677 0.050 0.050    {149.HA} 3.935 0.050 0.050    2564923.37500 170017.62500 1  0
220 {149.HB1} 1.878 0.050 0.050    {149.CB} 42.156 0.050 0.050    {149.HD1#} 0.740 0.050 0.050    1473064.71875 77570.90625 1  0
221 {149.HB1} 1.874 0.050 0.050    {149.CB} 42.135 0.050 0.050    {148.HE#} 1.805 0.050 0.050    925651.53125 55280.53125 1  0
222 {149.HB2} 1.490 0.050 0.050    {149.CB} 41.961 0.050 0.050    {152.HD2#} 0.707 0.050 0.050    1558501.43750 83644.75000 1  0
226 {149.HB2} 1.486 0.050 0.050    {149.CB} 41.954 0.050 0.050    {148.HE#} 1.817 0.050 0.050    1319725.93750 73515.06250 1  0
228 {149.HB2} 1.490 0.050 0.050    {149.CB} 41.961 0.050 0.050    {152.HB1} 1.847 0.050 0.050    1165241.21875 62256.84375 1  0
229 {149.HB2} 1.491 0.050 0.050    {149.CB} 41.961 0.050 0.050    {148.HB1} 1.786 0.050 0.050    1194755.96875 59466.31250 1  0
231 {149.HA} 3.937 0.050 0.050    {149.CA} 58.011 0.050 0.050    {149.HD1#} 0.740 0.050 0.050    1551129.28125 80770.84375 1  0
232 {149.HA} 3.943 0.050 0.050    {149.CA} 58.011 0.050 0.050    {152.HD2#} 0.719 0.050 0.050    1461309.78125 85873.75000 1  0
241 {148.HE#} 1.814 0.050 0.050    {148.CE} 17.616 0.050 0.050    {145.HG2#} 0.748 0.050 0.050    5584795.31250 422071.53125 1  0
243 {148.HE#} 1.814 0.050 0.050    {148.CE} 17.616 0.050 0.050    {152.HD2#} 0.710 0.050 0.050    4260514.03125 235918.56250 1  0
244 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.622 0.050 0.050    {149.HD2#} 0.868 0.050 0.050    31394194.34375 2445570.50000 1  0
245 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.632 0.050 0.050    {153.HG2#} 0.969 0.050 0.050    10047316.06250 823126.37500 1  0
250 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.660 0.050 0.050    {149.HB2} 1.483 0.050 0.050    4740922.68750 378298.56250 1  0
252 {148.HE#} 1.816 0.050 0.050    {148.CE} 17.616 0.050 0.050    {146.HB2} 1.527 0.050 0.050    3871270.03125 270590.15625 1  0
253 {148.HE#} 1.814 0.050 0.050    {148.CE} 17.616 0.050 0.050    {153.HB} 2.151 0.050 0.050    4785902.46875 351006.00000 1  0
255 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.616 0.050 0.050    {144.HG2} 2.109 0.050 0.050    4785902.46875 321772.28125 1  0
256 {148.HE#} 1.814 0.050 0.050    {148.CE} 17.616 0.050 0.050    {144.HB2} 2.190 0.050 0.050    2367332.65625 162299.28125 1  0
258 {148.HE#} 1.813 0.050 0.050    {148.CE} 17.634 0.050 0.050    {144.HG1} 2.352 0.050 0.050    892503.18750 64638.71875 1  0
259 {148.HE#} 1.817 0.050 0.050    {148.CE} 17.616 0.050 0.050    {148.HG1} 2.472 0.050 0.050    803667.21875 50968.25000 1  0
260 {148.HE#} 1.818 0.050 0.050    {148.CE} 17.678 0.050 0.050    {148.HG2} 2.728 0.050 0.050    706938.25000 50524.68750 1  0
261 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.615 0.050 0.050    {150.HB#} 3.219 0.050 0.050    3137341.31250 242918.03125 1  0
262 {148.HE#} 1.816 0.050 0.050    {148.CE} 17.654 0.050 0.050    {145.HA} 3.397 0.050 0.050    495573.37500 51475.56250 1  0
263 {148.HE#} 1.814 0.050 0.050    {148.CE} 17.651 0.050 0.050    {153.HA} 3.596 0.050 0.050    1523307.56250 110583.93750 1  0
264 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.642 0.050 0.050    {151.HA} 3.828 0.050 0.050    4031397.46875 282280.50000 1  0
265 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.616 0.050 0.050    {147.HA2} 3.936 0.050 0.050    1372221.25000 88301.96875 1  0
266 {148.HE#} 1.814 0.050 0.050    {148.CE} 17.616 0.050 0.050    {144.HA} 4.030 0.050 0.050    1987120.40625 145515.50000 1  0
267 {148.HE#} 1.815 0.050 0.050    {148.CE} 17.610 0.050 0.050    {150.HA} 4.138 0.050 0.050    12360293.00000 1007994.37500 1  0
268 {148.HE#} 1.814 0.050 0.050    {148.CE} 17.616 0.050 0.050    {148.HA} 4.177 0.050 0.050    5886265.87500 364566.09375 1  0
275 {146.HG} 1.526 0.050 0.050    {146.CG} 27.762 0.050 0.050    {145.HD1#} 0.825 0.050 0.050    1009091.25000 55682.71875 1  0
277 {146.HD2#} 0.858 0.050 0.050    {146.CD2} 25.057 0.050 0.050    {142.HB2} 1.160 0.050 0.050    402615.78125 49950.93750 1  0
278 {146.HD2#} 0.857 0.050 0.050    {146.CD2} 25.124 0.050 0.050    {146.HG} 1.516 0.050 0.050    5893535.84375 384161.09375 1  0
281 {146.HD2#} 0.856 0.050 0.050    {146.CD2} 25.143 0.050 0.050    {146.HB1} 1.811 0.050 0.050    12052177.40625 749869.62500 1  0
282 {146.HD2#} 0.858 0.050 0.050    {146.CD2} 25.184 0.050 0.050    {145.HB} 1.967 0.050 0.050    3289092.59375 213329.65625 1  0
284 {146.HD2#} 0.856 0.050 0.050    {146.CD2} 25.057 0.050 0.050    {142.HB1} 2.200 0.050 0.050    7194994.34375 454461.59375 1  0
285 {146.HD2#} 0.857 0.050 0.050    {146.CD2} 25.078 0.050 0.050    {144.HG1} 2.370 0.050 0.050    2200807.09375 140011.96875 1  0
286 {146.HD2#} 0.852 0.050 0.050    {146.CD2} 25.207 0.050 0.050    {148.HG1} 2.497 0.050 0.050    675042.78125 48688.78125 1  0
289 {146.HD2#} 0.857 0.050 0.050    {146.CD2} 25.117 0.050 0.050    {141.HE1} 2.795 0.050 0.050    3226617.90625 207828.56250 1  0
290 {146.HD2#} 0.856 0.050 0.050    {146.CD2} 25.122 0.050 0.050    {145.HA} 3.407 0.050 0.050    4103483.68750 259085.68750 1  0
291 {146.HD2#} 0.856 0.050 0.050    {146.CD2} 25.141 0.050 0.050    {146.HA} 3.848 0.050 0.050    1471612.75000 92361.62500 1  0
293 {146.HD2#} 0.857 0.050 0.050    {146.CD2} 25.057 0.050 0.050    {142.HA} 3.976 0.050 0.050    1236300.18750 87417.59375 1  0
294 {146.HD2#} 0.856 0.050 0.050    {146.CD2} 25.057 0.050 0.050    {143.HB2} 4.032 0.050 0.050    2112588.15625 131968.53125 1  0
295 {146.HD2#} 0.857 0.050 0.050    {146.CD2} 25.107 0.050 0.050    {143.HA} 4.158 0.050 0.050    5434488.84375 354831.12500 1  0
296 {146.HB1} 1.836 0.050 0.050    {146.CB} 41.977 0.050 0.050    {149.HD1#} 0.739 0.050 0.050    1747581.87500 92804.34375 1  0
301 {146.HB2} 1.527 0.050 0.050    {146.CB} 41.947 0.050 0.050    {145.HG1#} 0.687 0.050 0.050    1184926.03125 64186.18750 1  0
302 {146.HB2} 1.533 0.050 0.050    {146.CB} 41.947 0.050 0.050    {149.HD1#} 0.726 0.050 0.050    903505.68750 54136.00000 1  0
307 {145.HG2#} 0.754 0.050 0.050    {145.CG2} 16.624 0.050 0.050    {142.HB2} 1.177 0.050 0.050    553791.40625 47710.53125 1  0
309 {145.HG2#} 0.751 0.050 0.050    {145.CG2} 16.745 0.050 0.050    {149.HB2} 1.491 0.050 0.050    1287913.12500 84004.93750 1  0
310 {145.HG2#} 0.750 0.050 0.050    {145.CG2} 16.745 0.050 0.050    {146.HB2} 1.526 0.050 0.050    1345282.46875 85784.68750 1  0
311 {145.HG2#} 0.756 0.050 0.050    {145.CG2} 16.717 0.050 0.050    {149.HG} 1.721 0.050 0.050    1069966.62500 66754.00000 1  0
315 {145.HG2#} 0.747 0.050 0.050    {145.CG2} 16.745 0.050 0.050    {149.HB1} 1.878 0.050 0.050    1126282.06250 62539.87500 1  0
317 {145.HG2#} 0.747 0.050 0.050    {145.CG2} 16.886 0.050 0.050    {145.HB} 1.995 0.050 0.050    1309447.25000 71796.18750 1  0
319 {145.HG2#} 0.746 0.050 0.050    {145.CG2} 16.771 0.050 0.050    {145.HA} 3.426 0.050 0.050    1050114.62500 72693.34375 1  0
321 {145.HG2#} 0.747 0.050 0.050    {145.CG2} 16.723 0.050 0.050    {146.HA} 3.828 0.050 0.050    829474.21875 53897.40625 1  0
322 {145.HG2#} 0.751 0.050 0.050    {145.CG2} 16.684 0.050 0.050    {142.HA} 4.004 0.050 0.050    720429.34375 49721.84375 1  0
329 {145.HD1#} 0.817 0.050 0.050    {145.CD1} 15.311 0.050 0.050    {141.HD1} 1.483 0.050 0.050    1283121.62500 76464.59375 1  0
331 {145.HD1#} 0.818 0.050 0.050    {145.CD1} 15.311 0.050 0.050    {141.HD2} 1.535 0.050 0.050    1818198.50000 97009.46875 1  0
337 {145.HD1#} 0.820 0.050 0.050    {145.CD1} 15.228 0.050 0.050    {145.HB} 1.989 0.050 0.050    2416860.87500 121006.59375 1  0
338 {145.HD1#} 0.819 0.050 0.050    {145.CD1} 15.311 0.050 0.050    {142.HG} 1.951 0.050 0.050    2045161.96875 95954.78125 1  0
341 {145.HD1#} 0.820 0.050 0.050    {145.CD1} 15.259 0.050 0.050    {145.HA} 3.442 0.050 0.050    953797.34375 52897.78125 1  0
342 {145.HD1#} 0.825 0.050 0.050    {145.CD1} 15.266 0.050 0.050    {146.HA} 3.831 0.050 0.050    821531.81250 58729.87500 1  0
345 {145.HD1#} 0.821 0.050 0.050    {145.CD1} 15.306 0.050 0.050    {142.HA} 3.988 0.050 0.050    1877719.00000 90468.65625 1  0
346 {145.HD1#} 0.815 0.050 0.050    {145.CD1} 15.185 0.050 0.050    {141.HA} 4.166 0.050 0.050    921128.93750 54133.71875 1  0
349 {145.HB} 2.000 0.050 0.050    {145.CB} 38.130 0.050 0.050    {145.HD1#} 0.803 0.050 0.050    980378.71875 52145.18750 1  0
350 {145.HA} 3.404 0.050 0.050    {145.CA} 65.832 0.050 0.050    {145.HG2#} 0.746 0.050 0.050    1067426.28125 57121.31250 1  0
351 {145.HA} 3.406 0.050 0.050    {145.CA} 65.786 0.050 0.050    {146.HD2#} 0.856 0.050 0.050    2467150.37500 137602.62500 1  0
356 {145.HA} 3.405 0.050 0.050    {145.CA} 65.813 0.050 0.050    {145.HD1#} 0.816 0.050 0.050    1360682.62500 59565.75000 1  0
359 {144.HG1} 2.368 0.050 0.050    {144.CG} 36.102 0.050 0.050    {146.HD2#} 0.852 0.050 0.050    1440558.34375 77486.18750 1  0
361 {144.HG2} 2.121 0.050 0.050    {144.CG} 36.153 0.050 0.050    {146.HD2#} 0.855 0.050 0.050    1979739.62500 121075.12500 1  0
362 {144.HB2} 2.191 0.050 0.050    {144.CB} 29.636 0.050 0.050    {146.HD2#} 0.861 0.050 0.050    3541407.37500 204015.56250 1  0
367 {144.HB1} 2.126 0.050 0.050    {144.CB} 29.656 0.050 0.050    {146.HD2#} 0.848 0.050 0.050    877940.18750 57489.65625 1  0
369 {142.HD2#} 0.947 0.050 0.050    {142.CD2} 29.041 0.050 0.050    {145.HG1#} 0.710 0.050 0.050    2489124.65625 148820.43750 1  0
371 {142.HD2#} 0.944 0.050 0.050    {142.CD2} 28.937 0.050 0.050    {146.HG} 1.517 0.050 0.050    952749.50000 60614.59375 1  0
372 {142.HD2#} 0.948 0.050 0.050    {142.CD2} 28.937 0.050 0.050    {141.HB2} 1.590 0.050 0.050    900005.09375 66523.21875 1  0
375 {142.HD2#} 0.944 0.050 0.050    {142.CD2} 29.139 0.050 0.050    {{148.HB1 148.HE#}} 1.797 0.050    {?} 1168391.12500 76049.46875  {?} 0
376 {142.HD2#} 0.946 0.050 0.050    {142.CD2} 29.076 0.050 0.050    {138.HB} 1.958 0.050 0.050    1602044.93750 98247.56250 1  0
378 {142.HD2#} 0.950 0.050 0.050    {142.CD2} 28.937 0.050 0.050    {145.HB} 1.999 0.050 0.050    1341601.62500 76983.15625 1  0
379 {142.HD2#} 0.946 0.050 0.050    {142.CD2} 29.071 0.050 0.050    {141.HB1} 2.095 0.050 0.050    1067368.43750 69628.96875 1  0
380 {142.HD2#} 0.946 0.050 0.050    {142.CD2} 28.971 0.050 0.050    {138.HA} 3.494 0.050 0.050    2836224.81250 162953.46875 1  0
381 {142.HD2#} 0.946 0.050 0.050    {142.CD2} 28.937 0.050 0.050    {139.HA} 4.192 0.050 0.050    1063362.90625 57516.50000 1  0
384 {142.HD1#} 0.687 0.050 0.050    {142.CD1} 24.444 0.050 0.050    {142.HD2#} 0.933 0.050 0.050    2860302.84375 141046.31250 1  0
387 {142.HD1#} 0.689 0.050 0.050    {142.CD1} 24.624 0.050 0.050    {141.HB2} 1.583 0.050 0.050    707421.37500 49073.28125 1  0
388 {142.HD1#} 0.689 0.050 0.050    {142.CD1} 24.655 0.050 0.050    {141.HG2} 1.762 0.050 0.050    689611.06250 49511.53125 1  0
390 {142.HD1#} 0.683 0.050 0.050    {142.CD1} 24.405 0.050 0.050    {138.HB} 1.963 0.050 0.050    1611366.65625 77355.46875 1  0
391 {142.HD1#} 0.683 0.050 0.050    {142.CD1} 24.405 0.050 0.050    {145.HB} 1.999 0.050 0.050    1340306.75000 57151.93750 1  0
394 {142.HD1#} 0.685 0.050 0.050    {142.CD1} 24.421 0.050 0.050    {142.HA} 3.973 0.050 0.050    1462009.75000 69664.43750 1  0
396 {142.HA} 3.981 0.050 0.050    {142.CA} 58.176 0.050 0.050    {145.HG2#} 0.747 0.050 0.050    1034430.43750 51926.15625 1  0
401 {141.HE2} 2.836 0.050 0.050    {141.CE} 41.782 0.050 0.050    {146.HD2#} 0.858 0.050 0.050    2012875.87500 118916.68750 1  0
407 {141.HE1} 2.772 0.050 0.050    {141.CE} 41.753 0.050 0.050    {146.HD2#} 0.868 0.050 0.050    1735929.00000 99865.18750 1  0
410 {141.HD2} 1.532 0.050 0.050    {141.CD} 29.538 0.050 0.050    {146.HD2#} 0.854 0.050 0.050    1329118.90625 62904.90625 1  0
411 {141.HD1} 1.482 0.050 0.050    {141.CD} 29.463 0.050 0.050    {146.HD2#} 0.866 0.050 0.050    1388349.87500 73617.15625 1  0
415 {138.HG2#} 0.810 0.050 0.050    {138.CG2} 16.319 0.050 0.050    {138.HB} 1.966 0.050 0.050    1586339.03125 64470.25000 1  0
421 {138.HD1#} 0.802 0.050 0.050    {138.CD1} 14.666 0.050 0.050    {135.HG} 1.845 0.050 0.050    1058001.65625 60428.18750 1  0
422 {138.HD1#} 0.814 0.050 0.050    {138.CD1} 14.666 0.050 0.050    {137.HB1} 1.911 0.050 0.050    1338964.06250 61553.28125 1  0
423 {138.HD1#} 0.801 0.050 0.050    {138.CD1} 14.666 0.050 0.050    {137.HB2} 1.988 0.050 0.050    1950588.68750 96398.40625 1  0
424 {138.HD1#} 0.804 0.050 0.050    {138.CD1} 14.666 0.050 0.050    {135.HB1} 1.964 0.050 0.050    1994010.09375 100905.56250 1  0
425 {138.HD1#} 0.805 0.050 0.050    {138.CD1} 14.666 0.050 0.050    {135.HA} 3.988 0.050 0.050    1891617.25000 85982.59375 1  0
426 {138.HD1#} 0.805 0.050 0.050    {138.CD1} 14.666 0.050 0.050    {134.HA} 3.956 0.050 0.050    1794156.50000 99352.12500 1  0
440 {135.HD2#} 0.713 0.050 0.050    {135.CD2} 26.812 0.050 0.050    {131.HG11} 1.610 0.050 0.050    1011124.90625 72268.62500 1  0
442 {135.HD2#} 0.717 0.050 0.050    {135.CD2} 27.078 0.050 0.050    {135.HG} 1.847 0.050 0.050    2562538.93750 136491.68750 1  0
444 {135.HD2#} 0.715 0.050 0.050    {135.CD2} 27.153 0.050 0.050    {131.HB} 1.894 0.050 0.050    1983988.68750 86326.65625 1  0
445 {135.HD2#} 0.715 0.050 0.050    {135.CD2} 27.120 0.050 0.050    {138.HB} 1.968 0.050 0.050    1523380.81250 83041.34375 1  0
446 {135.HD2#} 0.715 0.050 0.050    {135.CD2} 27.222 0.050 0.050    {131.HA} 3.607 0.050 0.050    2063818.31250 106212.65625 1  0
448 {135.HD2#} 0.716 0.050 0.050    {135.CD2} 27.244 0.050 0.050    {135.HA} 3.966 0.050 0.050    1105987.37500 62405.31250 1  0
452 {135.HD1#} 0.604 0.050 0.050    {135.CD1} 22.802 0.050 0.050    {135.HG} 1.843 0.050 0.050    1895454.53125 114618.78125 1  0
453 {135.HD1#} 0.605 0.050 0.050    {135.CD1} 22.805 0.050 0.050    {131.HB} 1.892 0.050 0.050    1292067.46875 74427.40625 1  0
454 {135.HD1#} 0.606 0.050 0.050    {135.CD1} 22.791 0.050 0.050    {138.HB} 1.970 0.050 0.050    1325357.25000 77285.37500 1  0
457 {135.HD1#} 0.604 0.050 0.050    {135.CD1} 22.737 0.050 0.050    {135.HA} 3.950 0.050 0.050    1732075.15625 110641.78125 1  0
459 {135.HA} 3.969 0.050 0.050    {135.CA} 57.838 0.050 0.050    {138.HD1#} 0.805 0.050 0.050    981986.28125 49334.78125 1  0
464 {134.HA} 3.956 0.050 0.050    {134.CA} 58.282 0.050 0.050    {135.HD2#} 0.714 0.050 0.050    1320921.87500 65947.78125 1  0
465 {133.HB#} 1.409 0.050 0.050    {133.CB} 18.063 0.050 0.050    {131.HA} 3.608 0.050 0.050    975848.87500 73550.15625 1  0
466 {133.HB#} 1.404 0.050 0.050    {133.CB} 18.063 0.050 0.050    {133.HA} 4.122 0.050 0.050    3439276.06250 212285.03125 1  0
467 {133.HB#} 1.403 0.050 0.050    {133.CB} 18.063 0.050 0.050    {132.HB} 4.071 0.050 0.050    2847611.09375 177970.56250 1  0
469 {132.HG2#} 1.107 0.050 0.050    {132.CG2} 22.355 0.050 0.050    {131.HD1#} 0.794 0.050 0.050    3805294.87500 207408.78125 1  0
470 {132.HG2#} 1.107 0.050 0.050    {132.CG2} 22.378 0.050 0.050    {131.HG2#} 0.775 0.050 0.050    3504983.21875 191781.34375 1  0
471 {132.HG2#} 1.104 0.050 0.050    {132.CG2} 22.342 0.050 0.050    {131.HG11} 1.551 0.050 0.050    1288366.28125 81025.96875 1  0
472 {132.HG2#} 1.106 0.050 0.050    {132.CG2} 22.208 0.050 0.050    {135.HG} 1.873 0.050 0.050    728969.71875 48831.62500 1  0
473 {132.HG2#} 1.104 0.050 0.050    {132.CG2} 22.378 0.050 0.050    {130.HB1} 2.830 0.050 0.050    1020857.90625 55680.78125 1  0
474 {132.HG2#} 1.106 0.050 0.050    {132.CG2} 22.378 0.050 0.050    {130.HB2} 2.786 0.050 0.050    970709.96875 56058.15625 1  0
475 {132.HG2#} 1.102 0.050 0.050    {132.CG2} 22.354 0.050 0.050    {134.HD#} 3.097 0.050 0.050    1067479.96875 65761.40625 1  0
476 {132.HG2#} 1.106 0.050 0.050    {132.CG2} 22.378 0.050 0.050    {131.HA} 3.612 0.050 0.050    1654709.56250 96346.62500 1  0
477 {132.HG2#} 1.107 0.050 0.050    {132.CG2} 22.378 0.050 0.050    {132.HA} 3.563 0.050 0.050    808079.93750 84362.43750 1  0
478 {132.HG2#} 1.105 0.050 0.050    {132.CG2} 22.314 0.050 0.050    {132.HB} 4.055 0.050 0.050    1480671.46875 97125.06250 1  0
479 {132.HG2#} 1.106 0.050 0.050    {132.CG2} 22.278 0.050 0.050    {129.HA} 4.503 0.050 0.050    1033762.93750 69641.46875 1  0
480 {131.HG2#} 0.775 0.050 0.050    {131.CG2} 17.162 0.050 0.050    {131.HG11} 1.548 0.050 0.050    1396476.06250 102801.96875 1  0
481 {131.HG2#} 0.772 0.050 0.050    {131.CG2} 17.146 0.050 0.050    {131.HB} 1.891 0.050 0.050    2183677.68750 129649.90625 1  0
483 {131.HG2#} 0.773 0.050 0.050    {131.CG2} 17.146 0.050 0.050    {135.HG} 1.845 0.050 0.050    1802828.62500 126869.93750 1  0
485 {131.HG2#} 0.773 0.050 0.050    {131.CG2} 17.146 0.050 0.050    {131.HA} 3.612 0.050 0.050    1218737.03125 86045.43750 1  0
486 {131.HG2#} 0.777 0.050 0.050    {131.CG2} 17.146 0.050 0.050    {132.HA} 3.537 0.050 0.050    1111632.84375 82125.62500 1  0
487 {131.HG2#} 0.777 0.050 0.050    {131.CG2} 16.999 0.050 0.050    {135.HA} 3.963 0.050 0.050    695306.06250 52481.25000 1  0
489 {131.HG11} 1.559 0.050 0.050    {131.CG1} 29.062 0.050 0.050    {135.HD2#} 0.718 0.050 0.050    1129129.06250 59225.75000 1  0
490 {131.HG11} 1.564 0.050 0.050    {131.CG1} 29.062 0.050 0.050    {131.HD1#} 0.796 0.050 0.050    1628602.34375 77509.50000 1  0
491 {131.HG11} 1.564 0.050 0.050    {131.CG1} 29.062 0.050 0.050    {131.HG2#} 0.774 0.050 0.050    1550014.93750 76094.65625 1  0
492 {131.HG11} 1.563 0.050 0.050    {131.CG1} 29.062 0.050 0.050    {127.HG2#} 1.150 0.050 0.050    923463.37500 54598.84375 1  0
493 {131.HG11} 1.564 0.050 0.050    {131.CG1} 29.062 0.050 0.050    {132.HG2#} 1.104 0.050 0.050    964338.25000 53674.71875 1  0
494 {131.HG12} 0.990 0.050 0.050    {131.CG1} 29.032 0.050 0.050    {135.HD2#} 0.726 0.050 0.050    985994.40625 46680.21875 1  0
496 {131.HG12} 0.984 0.050 0.050    {131.CG1} 29.032 0.050 0.050    {131.HD1#} 0.795 0.050 0.050    2353472.15625 127844.09375 1  0
498 {131.HD1#} 0.795 0.050 0.050    {131.CD1} 13.156 0.050 0.050    {127.HG2#} 1.151 0.050 0.050    2590212.84375 175304.28125 1  0
499 {131.HD1#} 0.796 0.050 0.050    {131.CD1} 13.156 0.050 0.050    {132.HG2#} 1.104 0.050 0.050    2759679.37500 177163.46875 1  0
500 {131.HD1#} 0.799 0.050 0.050    {131.CD1} 13.117 0.050 0.050    {131.HG11} 1.566 0.050 0.050    1484310.53125 90531.59375 1  0
501 {131.HD1#} 0.796 0.050 0.050    {131.CD1} 13.172 0.050 0.050    {131.HB} 1.900 0.050 0.050    2848410.00000 174731.68750 1  0
504 {131.HD1#} 0.797 0.050 0.050    {131.CD1} 13.114 0.050 0.050    {128.HB2} 2.746 0.050 0.050    851183.37500 59307.40625 1  0
506 {131.HD1#} 0.795 0.050 0.050    {131.CD1} 13.106 0.050 0.050    {132.HA} 3.539 0.050 0.050    1136208.37500 75127.56250 1  0
507 {131.HD1#} 0.798 0.050 0.050    {131.CD1} 13.144 0.050 0.050    {128.HA} 4.605 0.050 0.050    960035.71875 63419.78125 1  0
508 {131.HB} 1.892 0.050 0.050    {131.CB} 37.678 0.050 0.050    {131.HD1#} 0.797 0.050 0.050    1585008.68750 89735.75000 1  0
511 {131.HA} 3.618 0.050 0.050    {131.CA} 64.629 0.050 0.050    {131.HD1#} 0.787 0.050 0.050    1218830.87500 67101.56250 1  0
512 {127.HG2#} 1.146 0.050 0.050    {127.CG2} 21.658 0.050 0.050    {131.HD1#} 0.792 0.050 0.050    1883222.93750 113326.53125 1  0
514 {127.HG2#} 1.148 0.050 0.050    {127.CG2} 21.690 0.050 0.050    {131.HG11} 1.561 0.050 0.050    641702.50000 61328.71875 1  0
515 {127.HG2#} 1.150 0.050 0.050    {127.CG2} 21.607 0.050 0.050    {131.HB} 1.895 0.050 0.050    808835.84375 60049.75000 1  0
517 {127.HG2#} 1.147 0.050 0.050    {127.CG2} 21.694 0.050 0.050    {127.HA} 4.241 0.050 0.050    2311389.46875 178703.59375 1  0
518 {126.HB#} 3.855 0.050 0.050    {126.CB} 63.684 0.050 0.050    {126.HA} 4.499 0.050 0.050    727429.12500 56805.75000 1  0
519 {153.HG2#} 0.946 0.050 0.050    {153.CG2} 22.703 0.050 0.050    {156.HB#} 3.804 0.050 0.050    555894.43750 42581.18750 1  0
;

   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

      1   .   .   H   1    HN   .   folded   1997.5   Hz   .   .   .   4.792   .   .   34513   1
      2   .   .   N   15   N    .   folded   1501.5   Hz   .   .   .   119.3   .   .   34513   1
      3   .   .   H   1    H    .   folded   9505.7   Hz   .   .   .   4.90    .   .   34513   1
   stop_
save_