============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 10 0.840 0.078 67.929 45.005 -99.200 -91.000 TRP 14 1.040 -12.810 65.562 36.769 -99.200 -91.000 TRP6 14 1.020 -12.279 63.949 35.121 -99.200 -91.000 PHE 35 1.000 -5.232 77.495 33.852 -99.200 -91.000 TRP 37 1.040 2.694 78.639 34.694 -99.200 -91.000 TRP6 37 1.020 2.749 77.474 36.751 -99.200 -91.000 PHE 50 1.000 -9.854 63.592 29.346 -99.200 -91.000 PHE 53 1.000 -8.980 72.975 31.349 -99.200 -91.000 TYR 56 0.840 -5.929 78.103 29.324 -99.200 -91.000 PHE 85 1.000 -2.224 62.711 22.300 -99.200 -91.000 PHE 87 1.000 -5.529 67.017 25.072 -99.200 -91.000 HIS 94 0.900 -14.828 58.866 24.501 -99.200 -91.000 PHE 105 1.000 2.914 66.130 35.679 -99.200 -91.000 TYR 109 0.840 1.985 75.558 27.087 -99.200 -91.000 HIS 114 0.900 3.183 81.681 31.041 -99.200 -91.000 TRP 120 1.040 6.747 62.001 31.822 -99.200 -91.000 TRP6 120 1.020 6.293 61.704 34.115 -99.200 -91.000 TRP 129 1.040 17.916 71.022 33.476 -99.200 -91.000 TRP6 129 1.020 16.802 69.719 35.113 -99.200 -91.000 HIS 130 0.900 25.060 73.875 33.617 -99.200 -91.000 PHE 139 1.000 4.103 64.401 39.576 -99.200 -91.000 HIS 160 0.900 1.615 60.671 42.493 -99.200 -91.000 HIS 173 0.900 25.195 72.142 37.335 -99.200 -91.000 TRP 174 1.040 17.375 73.720 37.570 -99.200 -91.000 TRP6 174 1.020 16.258 74.095 39.624 -99.200 -91.000 HIS 179 0.900 20.294 57.109 48.340 -99.200 -91.000 TRP 183 1.040 10.525 56.358 35.021 -99.200 -91.000 TRP6 183 1.020 11.274 57.220 32.954 -99.200 -91.000