============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 21 1.040 54.594 15.757 -13.655 -99.200 -91.000 TRP6 21 1.020 52.676 16.208 -14.974 -99.200 -91.000 HIS 23 0.900 51.191 10.103 -5.323 -99.200 -91.000 PHE 29 1.000 39.591 6.611 5.132 -99.200 -91.000 TRP 52 1.040 43.783 7.747 0.588 -99.200 -91.000 TRP6 52 1.020 43.818 8.468 2.840 -99.200 -91.000 PHE 68 1.000 55.202 11.495 -16.021 -99.200 -91.000 HIS 79 0.900 53.017 8.538 7.854 -99.200 -91.000 HIS 81 0.900 49.523 6.829 10.562 -99.200 -91.000 HIS 99 0.900 64.208 2.477 -2.362 -99.200 -91.000 TYR 113 0.840 49.078 -1.112 6.275 -99.200 -91.000 PHE 128 1.000 65.800 6.892 -6.891 -99.200 -91.000 PHE 136 1.000 66.741 15.548 8.738 -99.200 -91.000 TYR 137 0.840 63.431 9.737 12.831 -99.200 -91.000 HIS 142 0.900 50.988 11.827 10.959 -99.200 -91.000 TRP 150 1.040 66.599 19.159 0.114 -99.200 -91.000 TRP6 150 1.020 65.417 21.205 0.214 -99.200 -91.000 TYR 154 0.840 63.895 19.716 -9.763 -99.200 -91.000 TYR 178 0.840 56.015 9.279 19.785 -99.200 -91.000 TRP 182 1.040 54.564 17.635 14.329 -99.200 -91.000 TRP6 182 1.020 52.377 16.748 14.157 -99.200 -91.000 TYR 193 0.840 66.287 19.558 4.145 -99.200 -91.000 HIS 203 0.900 46.250 14.279 4.508 -99.200 -91.000 HIS 214 0.900 49.016 27.057 9.525 -99.200 -91.000