============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 7 0.840 141.442 101.213 -42.591 -99.200 -91.000 TYR 11 0.840 132.770 103.442 -48.385 -99.200 -91.000 PHE 13 1.000 132.272 100.489 -39.211 -99.200 -91.000 PHE 17 1.000 129.171 100.782 -28.387 -99.200 -91.000 HIS 19 0.900 125.120 108.412 -24.871 -99.200 -91.000 TYR 30 0.840 130.642 102.216 -25.140 -99.200 -91.000 PHE 38 1.000 130.824 97.277 -17.780 -99.200 -91.000 TRP 50 1.040 126.815 106.539 -35.307 -99.200 -91.000 TRP6 50 1.020 125.269 108.278 -35.720 -99.200 -91.000 TYR 67 0.840 139.309 84.303 -24.416 -99.200 -91.000 HIS 72 0.900 144.253 83.848 -20.953 -99.200 -91.000 HIS 82 0.900 124.865 74.704 -18.754 -99.200 -91.000 HIS 83 0.900 125.553 79.094 -20.704 -99.200 -91.000 HIS 97 0.900 129.599 80.711 -34.534 -99.200 -91.000 TYR 109 0.840 125.070 83.044 -36.526 -99.200 -91.000 PHE 116 1.000 140.800 74.965 -36.867 -99.200 -91.000 HIS 118 0.900 133.195 79.602 -32.788 -99.200 -91.000 HIS 137 0.900 118.268 95.575 -31.782 -99.200 -91.000 TYR 138 0.840 126.510 92.520 -33.214 -99.200 -91.000 TYR 140 0.840 128.394 90.270 -26.884 -99.200 -91.000 TYR 143 0.840 125.563 84.997 -16.794 -99.200 -91.000 PHE 174 1.000 131.524 96.254 -28.820 -99.200 -91.000