============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. HIS 12 0.900 -13.647 53.669 -16.253 -99.200 -91.000 TRP 19 1.040 -19.715 52.699 -1.440 -99.200 -91.000 TRP6 19 1.020 -17.432 52.241 -1.769 -99.200 -91.000 PHE 20 1.000 -23.672 44.835 2.696 -99.200 -91.000 PHE 25 1.000 -19.996 32.630 -2.798 -99.200 -91.000 TYR 45 0.840 -28.520 42.896 1.214 -99.200 -91.000 TYR 54 0.840 -21.712 32.733 -9.116 -99.200 -91.000 PHE 75 1.000 -24.462 48.068 -10.506 -99.200 -91.000 TRP 81 1.040 -17.961 28.401 -17.397 -99.200 -91.000 TRP6 81 1.020 -16.730 28.542 -15.394 -99.200 -91.000 TYR 87 0.840 -16.818 40.142 -31.275 -99.200 -91.000 PHE 94 1.000 -25.400 41.035 -22.335 -99.200 -91.000 TYR 105 0.840 -31.025 47.881 -17.742 -99.200 -91.000 TYR 109 0.840 -21.736 39.457 -19.459 -99.200 -91.000 HIS 112 0.900 -17.056 33.664 -12.675 -99.200 -91.000 TRP 113 1.040 -12.606 32.199 -12.785 -99.200 -91.000 TRP6 113 1.020 -11.206 32.296 -10.859 -99.200 -91.000 TYR 119 0.840 -6.551 38.232 -20.787 -99.200 -91.000 TRP 123 1.040 -12.185 44.990 -22.490 -99.200 -91.000 TRP6 123 1.020 -13.419 45.054 -20.471 -99.200 -91.000 TYR 130 0.840 -20.048 51.046 -21.949 -99.200 -91.000 PHE 143 1.000 -9.150 39.766 -16.340 -99.200 -91.000 HIS 146 0.900 -0.195 38.262 -14.919 -99.200 -91.000 HIS 147 0.900 -4.251 37.471 -15.404 -99.200 -91.000 PHE 166 1.000 -10.281 43.189 0.468 -99.200 -91.000 HIS 167 0.900 -10.268 35.927 2.218 -99.200 -91.000 TYR 178 0.840 -2.559 47.974 -12.291 -99.200 -91.000 TRP 189 1.040 -16.586 35.050 -5.252 -99.200 -91.000 TRP6 189 1.020 -15.058 33.389 -4.503 -99.200 -91.000 HIS 210 0.900 -16.000 48.618 17.116 -99.200 -91.000 TRP 221 1.040 -10.296 45.014 7.012 -99.200 -91.000 TRP6 221 1.020 -10.009 43.456 5.258 -99.200 -91.000 HIS 225 0.900 -8.465 48.213 4.030 -99.200 -91.000 HIS 237 0.900 -30.503 34.376 10.966 -99.200 -91.000 PHE 246 1.000 -24.356 50.589 5.818 -99.200 -91.000 PHE 248 1.000 -19.201 48.112 13.129 -99.200 -91.000 PHE 276 1.000 -10.584 30.103 -18.745 -99.200 -91.000