============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 17 0.900 31.795 70.184 85.429 -99.200 -91.000 PHE 19 1.000 34.205 59.111 90.821 -99.200 -91.000 PHE 32 1.000 41.120 44.471 88.153 -99.200 -91.000 TYR 45 0.840 31.407 58.459 85.579 -99.200 -91.000 PHE 57 1.000 44.653 57.011 88.302 -99.200 -91.000 HIS 59 0.900 47.089 55.226 92.178 -99.200 -91.000 HIS 62 0.900 54.251 46.339 85.303 -99.200 -91.000 PHE 63 1.000 44.516 49.275 82.884 -99.200 -91.000 PHE 80 1.000 33.053 39.247 91.451 -99.200 -91.000 TYR 82 0.840 31.033 42.806 88.591 -99.200 -91.000 TRP 90 1.040 36.441 43.174 82.549 -99.200 -91.000 TRP6 90 1.020 36.952 43.487 84.828 -99.200 -91.000 TRP 110 1.040 50.414 39.415 81.713 -99.200 -91.000 TRP6 110 1.020 51.345 40.050 79.655 -99.200 -91.000 PHE 130 1.000 47.534 46.618 75.211 -99.200 -91.000 HIS 132 0.900 42.111 38.480 75.190 -99.200 -91.000 PHE 149 1.000 41.707 42.168 69.878 -99.200 -91.000 TRP 155 1.040 36.469 36.496 62.543 -99.200 -91.000 TRP6 155 1.020 34.787 36.463 64.208 -99.200 -91.000 TYR 160 0.840 47.963 39.905 67.996 -99.200 -91.000 PHE 167 1.000 47.203 42.811 71.573 -99.200 -91.000 TYR 193 0.840 42.287 62.149 73.697 -99.200 -91.000 PHE 213 1.000 26.982 52.894 75.980 -99.200 -91.000