============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 22 1.040 34.011 -17.227 16.441 -99.200 -91.000 TRP6 22 1.020 34.285 -17.033 14.106 -99.200 -91.000 PHE 31 1.000 27.014 -24.868 21.627 -99.200 -91.000 PHE 36 1.000 30.670 -16.140 22.037 -99.200 -91.000 PHE 46 1.000 31.693 -10.756 19.521 -99.200 -91.000 TRP 49 1.040 27.834 -7.447 24.249 -99.200 -91.000 TRP6 49 1.020 27.997 -9.773 23.769 -99.200 -91.000 TRP 50 1.040 33.686 -12.395 25.198 -99.200 -91.000 TRP6 50 1.020 31.966 -13.759 26.077 -99.200 -91.000 TYR 52 0.840 29.262 -3.915 30.954 -99.200 -91.000 PHE 53 1.000 26.543 -11.634 28.216 -99.200 -91.000 TYR 62 0.840 30.768 -7.034 44.091 -99.200 -91.000 TYR 83 0.840 21.666 -16.248 20.654 -99.200 -91.000 HIS 88 0.900 21.806 -15.539 28.953 -99.200 -91.000 PHE 95 1.000 25.328 -21.271 36.028 -99.200 -91.000 TRP 109 1.040 8.286 -12.412 38.001 -99.200 -91.000 TRP6 109 1.020 7.468 -11.718 40.070 -99.200 -91.000 HIS 111 0.900 1.370 -17.194 37.821 -99.200 -91.000 TYR 124 0.840 14.962 -2.936 40.868 -99.200 -91.000 HIS 131 0.900 5.694 -0.855 34.206 -99.200 -91.000 HIS 151 0.900 30.688 -3.179 46.406 -99.200 -91.000 PHE 161 1.000 20.898 -11.083 30.121 -99.200 -91.000 PHE 173 1.000 22.491 -11.289 16.516 -99.200 -91.000 TYR 179 0.840 23.135 -21.924 23.755 -99.200 -91.000 TYR 180 0.840 15.719 -24.125 20.889 -99.200 -91.000