============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 8 0.900 -21.465 -24.074 41.477 -99.200 -91.000 PHE 21 1.000 -15.222 -4.212 48.023 -99.200 -91.000 TYR 27 0.840 -18.947 7.383 49.755 -99.200 -91.000 PHE 42 1.000 -18.376 5.824 71.784 -99.200 -91.000 TYR 61 0.840 -13.467 3.517 73.355 -99.200 -91.000 TYR 62 0.840 -15.844 -5.015 72.625 -99.200 -91.000 TRP 67 1.040 -20.586 3.693 56.343 -99.200 -91.000 TRP6 67 1.020 -19.106 2.802 57.953 -99.200 -91.000 TRP 74 1.040 -25.267 -8.081 47.225 -99.200 -91.000 TRP6 74 1.020 -24.115 -7.200 49.079 -99.200 -91.000 TYR 79 0.840 -23.394 -10.178 42.548 -99.200 -91.000 PHE 85 1.000 -19.209 -8.015 50.924 -99.200 -91.000 TRP 93 1.040 -15.321 7.154 53.245 -99.200 -91.000 TRP6 93 1.020 -17.027 7.364 54.833 -99.200 -91.000 TYR 100 0.840 -13.437 16.850 67.483 -99.200 -91.000 HIS 118 0.900 -30.070 -7.320 51.103 -99.200 -91.000 PHE 124 1.000 -14.243 -0.635 61.459 -99.200 -91.000 PHE 132 1.000 -11.237 10.446 78.712 -99.200 -91.000 PHE 151 1.000 -15.090 8.855 71.488 -99.200 -91.000 TRP 154 1.040 -9.057 16.646 62.447 -99.200 -91.000 TRP6 154 1.020 -9.146 17.612 64.601 -99.200 -91.000 TYR 156 0.840 -15.630 14.032 55.112 -99.200 -91.000 PHE 159 1.000 -24.156 22.960 56.254 -99.200 -91.000 TYR 175 0.840 -16.500 -0.812 83.890 -99.200 -91.000 TYR 176 0.840 -11.893 -6.784 85.009 -99.200 -91.000 TYR 181 0.840 -9.982 3.849 88.556 -99.200 -91.000 HIS 194 0.900 -22.787 26.406 65.533 -99.200 -91.000 TYR 195 0.840 -15.507 22.391 67.511 -99.200 -91.000 TYR 202 0.840 -16.333 20.597 61.621 -99.200 -91.000 PHE 211 1.000 -13.567 7.972 86.444 -99.200 -91.000