Content for NMR-STAR saveframe, "spectral_peak_list_4"
save_spectral_peak_list_4
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_4
_Spectral_peak_list.Entry_ID 30800
_Spectral_peak_list.ID 4
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 2
_Spectral_peak_list.Sample_label $sample_2
_Spectral_peak_list.Sample_condition_list_ID 2
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_2
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 19
_Spectral_peak_list.Experiment_name '2D (F1,F2) 13C-filtered 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_chemical_shifts_1
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
# Peak Pick Table, File: data.PCK
#
# Input Parameters:
DATA DIMCOUNT 2
DATA X_AXIS 2048 7211.54 600.02 6469.679 PPM 0.00
DATA Y_AXIS 512 7215.01 600.02 6471.413 PPM 0.00
#
FORMAT %4d %9.4f %9.4f %+8.2e %10s
VARS PkID X Y Intensity Assign
41 8.6632 8.6607 +8.06e+06 E490.HN; E490.HN
653 8.5752 8.5743 +3.34e+07 L491.HN; L491.HN
778 1.7833 8.5735 +3.07e+06 L491.HB2; L491.HN
695 1.9251 8.5729 +3.93e+06 L491.HG; L491.HN
779 1.9925 8.5727 +1.67e+06 E490.HB1; L491.HN
149 2.1206 8.5718 +1.72e+06 E490.HG1; L491.HN
328 4.4318 8.5708 +2.06e+07 E490.HA; L491.HN
886 4.2748 8.2866 +2.95e+06 A487.HA; A487.HN
859 7.9957 8.2841 +2.49e+06 G488.HN; A487.HN
858 8.2841 8.2824 +2.22e+07 A487.HN; A487.HN
863 3.3248 8.0034 +1.41e+06 G488.HA2; G488.HN
803 7.9986 7.9982 +5.28e+07 G488.HN; G488.HN
816 7.2667 7.9980 +3.39e+06 A487.HN; G488.HN
837 3.0664 7.9968 +2.74e+06 G488.HA1; G488.HN
355 3.9928 7.9933 +1.75e+06 K485.HA; N486.HN
857 8.2871 7.9932 +2.64e+06 A487.HN; G488.HN
770 3.9531 7.8916 +3.46e+06 L493.HA; L493.HN
652 4.2105 7.8900 +1.57e+07 P492.HA; L493.HN
150 1.8460 7.8836 +6.93e+06 L493.HB2; L493.HN
47 7.8850 7.8833 +3.19e+07 L491.HN; L491.HN
151 1.9251 7.8832 +1.44e+06 L491.HG; L493.HN
912 1.5003 7.8793 +2.29e+06 L493.HG; L493.HN
911 1.6143 7.8780 +2.30e+06 L493.HB1; L493.HN
769 3.9506 7.8309 +8.65e+06 L493.HA; T494.HN
927 3.8145 7.8283 +2.14e+06 T494.HB; T494.HN
179 7.8209 7.8210 +2.90e+07 T494.HN; T494.HN
356 4.0513 7.8161 +2.44e+06 T494.HA; T494.HN
880 3.0697 7.4253 +1.75e+06 N486.HA; N486.HN
876 7.0609 7.4251 +7.85e+06 K485.HN; N486.HN
806 7.4285 7.4248 +1.79e+07 N486.HN; N486.HN
866 3.3262 7.2672 +8.40e+06 G488.HA2; F489.HD1
830 7.9991 7.2657 +6.60e+06 G488.HN; A487.HN
867 3.0667 7.2656 +1.15e+07 G488.HA1; F489.HD1
868 1.4307 7.2628 +1.01e+07 A487.HB#; F489.HD1
871 7.2642 7.2628 +7.53e+08 F489.HD1; F489.HD1
875 7.4265 7.0574 +1.01e+07 N486.HN; K485.HN
39 8.6791 4.4350 +1.66e+06 E490.HN; E490.HA
99 1.9134 4.4335 +2.44e+06 L491.HG; E490.HA
684 8.5753 4.4297 +1.96e+07 L491.HN; E490.HA
101 1.9899 4.4281 +6.28e+06 E490.HB1; E490.HA
210 2.3674 4.4267 +4.74e+06 E490.HB2; E490.HA
102 2.1274 4.4258 +5.92e+06 E490.HG1; E490.HA
693 8.5825 4.2738 +3.42e+06 L491.HN; L491.HA
856 8.2844 4.2729 +7.66e+06 A487.HN; A487.HA
888 1.4308 4.2729 +1.74e+07 A487.HB#; A487.HA
892 1.3943 4.2723 +2.40e+06 L491.HG; L491.HA
736 1.3527 4.2164 +3.85e+06 P492.HB1; P492.HA
898 1.9215 4.2091 +8.07e+06 L491.HB1; P492.HA
674 7.8914 4.2073 +1.45e+07 L493.HN; P492.HA
896 1.8547 4.2052 +2.82e+06 L493.HB2; P492.HA
620 7.8221 4.0613 +2.79e+06 T494.HN; T494.HA
68 0.8811 4.0468 +4.97e+06 T494.HG2#; T494.HA
649 7.8887 3.9494 +3.92e+06 L493.HN; L493.HA
679 0.9476 3.9486 +1.47e+07 L493.HD1#; L493.HA
73 1.8527 3.9470 +2.52e+06 L493.HB2; L493.HA
70 1.6108 3.9458 +2.92e+06 L493.HB1; L493.HA
71 1.4920 3.9454 +2.89e+06 L493.HG; L493.HA
177 7.8205 3.9438 +1.27e+07 T494.HN; L493.HA
673 7.8264 3.8061 +3.31e+06 T494.HN; T494.HB
178 7.8214 3.8011 +3.31e+06 T494.HN; T494.HB
67 0.8809 3.7891 +5.59e+06 T494.HG2#; T494.HB
872 7.2657 3.3255 +5.85e+06 F489.HD1; G488.HA2
834 3.3213 3.3243 +2.13e+07 G488.HA2; G488.HA2
833 3.0666 3.3233 +1.65e+07 G488.HA1; G488.HA2
822 7.9962 3.3232 +2.80e+06 G488.HN; G488.HA2
854 3.0861 3.0833 +1.02e+08 N486.HA; N486.HA
918 7.0610 3.0738 +2.10e+06 K485.HN; N486.HA
851 7.4264 3.0670 +4.44e+06 N486.HN; N486.HA
832 3.3242 3.0651 +1.44e+07 G488.HA2; G488.HA1
853 2.6693 3.0644 +1.57e+07 N486.HB1; N486.HA
870 7.2650 3.0635 +8.74e+06 F489.HD1; G488.HA1
840 7.9970 3.0632 +5.75e+06 G488.HN; G488.HA1
879 1.4451 2.9988 +3.55e+06 K485.HB2; K485.HE1
755 1.6952 2.9957 +7.07e+07 K485.HB2; K485.HE1
855 2.9968 2.9950 +1.03e+09 K485.HE1; K485.HE1
852 3.0676 2.6620 +1.40e+07 N486.HA; N486.HB1
163 2.6670 2.6614 +6.85e+07 G488.HA1; G488.HA1
850 7.4259 2.6601 +2.58e+06 N486.HN; N486.HB1
659 8.5796 2.3786 +2.42e+06 L491.HN; E490.HB2
38 8.6656 2.3681 +2.94e+06 E490.HN; E490.HB2
208 2.1310 2.3677 +2.37e+07 E490.HG1; E490.HB2
207 2.3642 2.3662 +2.74e+08 E490.HB2; E490.HB2
692 4.4361 2.3641 +1.11e+07 E490.HA; E490.HB2
209 1.9951 2.3636 +1.35e+07 E490.HB1; E490.HB2
206 2.3714 2.1326 +1.28e+07 E490.HB2; E490.HG1
691 4.4363 2.1322 +1.20e+07 E490.HA; E490.HG1
37 8.6575 2.1278 +2.39e+06 E490.HN; E490.HG1
200 8.5682 2.1271 +3.64e+06 L491.HN; E490.HG1
204 1.9905 2.1250 +4.08e+07 E490.HB1; E490.HG1
205 2.1224 2.1230 +7.56e+07 E490.HG1; E490.HG1
203 1.9951 1.9957 +9.29e+07 E490.HB1; E490.HB1
690 4.4354 1.9937 +1.10e+07 E490.HA; E490.HB1
201 2.3714 1.9916 +1.02e+07 E490.HB2; E490.HB1
202 2.1250 1.9911 +3.64e+07 E490.HG1; E490.HB1
379 8.6653 1.9882 +3.56e+06 E490.HN; E490.HB1
709 8.5751 1.9232 +6.50e+06 L491.HN; L491.HB1
719 1.3885 1.9208 +4.03e+06 L491.HG; L491.HB1
738 1.3465 1.9188 +9.16e+06 P492.HB1; L491.HB1
303 7.4215 1.9182 +1.14e+06 G488.HN; L491.HG
697 1.1459 1.9174 +1.08e+07 L491.HD2#; L491.HG
682 0.9068 1.9147 +1.52e+07 L491.HD1#; L491.HG
732 4.2111 1.9126 +1.16e+07 P492.HA; L491.HB1
889 1.9150 1.9124 +2.70e+08 L491.HB1; L491.HB1
95 0.9596 1.8519 +2.28e+07 L493.HD1#; L493.HB2
675 3.9516 1.8511 +3.23e+06 L493.HA; L493.HB2
176 7.8307 1.8504 +1.88e+06 T494.HN; L493.HB2
175 7.8858 1.8479 +1.03e+07 L493.HN; L493.HB2
191 1.4963 1.8452 +5.61e+06 L493.HG; L493.HB2
189 1.8369 1.8438 +2.65e+08 L493.HB2; L493.HB2
190 1.6127 1.8431 +6.97e+06 L493.HB1; L493.HB2
92 0.9613 1.8185 +1.66e+07 L493.HD1#; P492.HB2
722 1.1459 1.7858 +3.28e+06 L491.HD2#; L491.HB2
708 8.5762 1.7838 +4.37e+06 L491.HN; L491.HB2
718 1.3954 1.7822 +5.46e+06 L491.HG; L491.HB2
723 0.9082 1.7806 +7.24e+06 L491.HD1#; L491.HB2
891 1.9239 1.7750 +4.40e+06 L491.HB1; L491.HB2
919 2.9970 1.6954 +9.17e+07 K485.HE1; K485.HD1
923 1.6960 1.6951 +6.37e+08 K485.HD1; K485.HD1
757 1.4448 1.6918 +5.32e+07 K485.HB1; K485.HB2
748 7.8261 1.6148 +1.70e+06 T494.HN; L493.HB1
648 7.8908 1.6145 +3.37e+06 L493.HN; L493.HB1
94 0.9621 1.6110 +1.11e+07 L493.HD1#; L493.HB1
376 3.9470 1.5955 +2.83e+06 L493.HA; L493.HB1
730 4.2106 1.5882 +2.27e+06 P492.HA; L493.HB1
647 7.8915 1.5093 +2.24e+06 L493.HN; L493.HG
301 7.8199 1.5027 +2.23e+06 T494.HN; L493.HG
504 3.9499 1.4990 +3.72e+06 L493.HA; L493.HG
93 0.9632 1.4966 +1.09e+07 L493.HD1#; L493.HG
922 1.6920 1.4444 +4.52e+07 K485.HD1; K485.HD2
920 2.9962 1.4423 +7.55e+06 K485.HE1; K485.HD2
756 1.4334 1.4341 +1.15e+09 K485.HB1; K485.HB1
873 7.2655 1.4315 +1.10e+07 F489.HD1; A487.HB#
874 4.2756 1.4311 +2.49e+07 A487.HA; A487.HB#
862 8.2853 1.4303 +2.99e+06 A487.HN; A487.HB#
705 8.5744 1.4154 +4.21e+06 L491.HN; L491.HG
713 1.7899 1.3992 +5.38e+06 L491.HB2; L491.HG
724 0.9065 1.3935 +6.52e+06 L491.HD1#; L491.HG
725 1.1456 1.3914 +6.39e+06 L491.HD2#; L491.HG
717 1.9224 1.3892 +7.15e+06 L491.HB1; L491.HG
903 3.1886 1.3714 +1.80e+06 P492.HD1; P492.HB1
740 1.9225 1.3485 +1.09e+07 L491.HB1; P492.HB1
729 4.2111 1.3467 +5.89e+06 P492.HA; P492.HB1
733 4.2071 1.1605 +1.98e+06 P492.HA; L491.HD2#
699 1.1463 1.1494 +3.50e+08 L491.HD2#; L491.HD2#
660 8.5773 1.1465 +2.11e+06 L491.HN; L491.HD2#
703 1.9230 1.1430 +7.73e+06 L491.HG; L491.HD2#
726 0.9063 1.1417 +2.52e+07 L491.HD1#; L491.HD2#
711 1.7777 1.1412 +2.47e+06 L491.HB2; L491.HD2#
900 3.2037 1.1410 +2.02e+06 P492.HD1; L491.HD2#
185 1.6104 0.9567 +1.12e+07 L493.HB1; L493.HD1#
186 1.4959 0.9549 +1.15e+07 L493.HG; L493.HD1#
184 1.8437 0.9523 +2.50e+07 L493.HB2; L493.HD1#
727 4.2102 0.9521 +4.19e+06 P492.HA; L493.HD1#
42 7.8854 0.9513 +7.04e+06 L493.HN; L493.HD1#
69 3.9465 0.9436 +1.71e+07 L493.HA; L493.HD1#
187 0.9424 0.9421 +1.36e+09 L493.HD1#; L493.HD1#
669 7.8259 0.9403 +6.72e+06 T494.HN; L493.HD1#
712 1.7855 0.9157 +5.65e+06 L491.HB2; L491.HD1#
704 1.9206 0.9069 +1.09e+07 L491.HG; L491.HD1#
696 1.1459 0.9057 +2.02e+07 L491.HD2#; L491.HD1#
710 1.3875 0.8981 +2.91e+06 L491.HG; L491.HD1#
323 8.5705 0.8979 +2.31e+06 L491.HN; L491.HD1#
181 0.8849 0.8888 +5.93e+08 T494.HG2#; T494.HG2#
56 7.8257 0.8871 +4.52e+06 T494.HN; T494.HG2#
61 3.8070 0.8870 +6.52e+06 T494.HB; T494.HG2#
60 4.0490 0.8848 +6.41e+06 T494.HA; T494.HG2#
;
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 H . . 12 ppm . . . 4.773 . . 30800 4
2 . . H 1 H . . 12 ppm . . . 4.773 . . 30800 4
stop_
save_