============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 8 1.000 30.056 22.224 29.631 -99.200 -91.000 PHE 13 1.000 34.838 24.150 28.113 -99.200 -91.000 HIS 16 0.900 22.799 20.142 34.762 -99.200 -91.000 HIS 18 0.900 19.736 22.727 29.581 -99.200 -91.000 TRP 45 1.040 24.289 30.331 20.405 -99.200 -91.000 TRP6 45 1.020 22.232 29.829 21.447 -99.200 -91.000 TYR 48 0.840 21.250 39.923 25.563 -99.200 -91.000 PHE 58 1.000 28.244 39.198 29.267 -99.200 -91.000 PHE 60 1.000 29.100 33.659 25.279 -99.200 -91.000 TYR 65 0.840 33.736 31.944 24.177 -99.200 -91.000 TRP 68 1.040 34.460 35.537 35.649 -99.200 -91.000 TRP6 68 1.020 34.437 37.856 35.354 -99.200 -91.000 TRP 71 1.040 31.251 35.059 29.743 -99.200 -91.000 TRP6 71 1.020 31.463 32.889 30.562 -99.200 -91.000 HIS 91 0.900 27.420 40.963 -4.212 -99.200 -91.000 TYR 96 0.840 24.447 24.233 -11.821 -99.200 -91.000 PHE 101 1.000 19.369 25.945 -13.745 -99.200 -91.000 PHE 116 1.000 34.551 30.039 -15.330 -99.200 -91.000 HIS 117 0.900 40.692 25.062 -18.743 -99.200 -91.000 HIS 119 0.900 38.769 29.553 -9.218 -99.200 -91.000 TYR 121 0.840 33.303 24.059 -14.711 -99.200 -91.000 TRP 135 1.040 27.725 37.528 -10.885 -99.200 -91.000 TRP6 135 1.020 29.735 37.145 -9.685 -99.200 -91.000 TYR 138 0.840 34.234 39.086 -20.199 -99.200 -91.000 TYR 140 0.840 37.854 32.382 -26.668 -99.200 -91.000 TYR 143 0.840 38.141 39.111 -16.395 -99.200 -91.000 TYR 148 0.840 28.469 34.555 -23.779 -99.200 -91.000 TYR 155 0.840 20.643 33.667 -17.483 -99.200 -91.000 PHE 161 1.000 25.126 31.208 -20.861 -99.200 -91.000 TRP 179 1.040 22.732 54.104 -13.931 -99.200 -91.000 TRP6 179 1.020 20.614 53.155 -13.784 -99.200 -91.000