============================================================================= 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. TRP 5 1.040 35.327 48.871 51.898 -99.200 -91.000 TRP6 5 1.020 34.743 47.158 50.376 -99.200 -91.000 PHE 18 1.000 30.737 46.572 42.442 -99.200 -91.000 HIS 25 0.900 31.898 39.885 28.211 -99.200 -91.000 TRP 28 1.040 22.510 37.573 33.145 -99.200 -91.000 TRP6 28 1.020 20.266 37.030 33.675 -99.200 -91.000 PHE 30 1.000 21.561 44.522 39.783 -99.200 -91.000 TYR 34 0.840 10.217 52.431 36.450 -99.200 -91.000 PHE 55 1.000 16.585 46.227 54.956 -99.200 -91.000 TYR 61 0.840 15.924 45.007 59.565 -99.200 -91.000 PHE 64 1.000 10.778 40.239 60.903 -99.200 -91.000 TYR 84 0.840 29.735 32.988 47.302 -99.200 -91.000 PHE 85 1.000 24.957 34.416 54.648 -99.200 -91.000 HIS 101 0.900 25.314 37.492 49.805 -99.200 -91.000 HIS 111 0.900 30.462 36.312 27.692 -99.200 -91.000 PHE 112 1.000 31.623 35.891 35.754 -99.200 -91.000 PHE 121 1.000 35.294 37.528 46.670 -99.200 -91.000 TYR 136 0.840 39.930 35.531 48.495 -99.200 -91.000 TYR 140 0.840 39.606 39.729 44.817 -99.200 -91.000 HIS 147 0.900 31.606 49.506 47.987 -99.200 -91.000 HIS 152 0.900 34.037 59.026 45.983 -99.200 -91.000 HIS 168 0.900 22.188 45.531 55.026 -99.200 -91.000 PHE 169 1.000 22.227 48.847 48.191 -99.200 -91.000 HIS 174 0.900 14.829 29.456 41.452 -99.200 -91.000 HIS 178 0.900 12.649 25.709 48.911 -99.200 -91.000 TYR 180 0.840 17.556 29.597 49.948 -99.200 -91.000 PHE 188 1.000 20.251 31.930 60.567 -99.200 -91.000 HIS 192 0.900 12.221 35.905 53.336 -99.200 -91.000 PHE 211 1.000 12.964 43.010 54.464 -99.200 -91.000 PHE 221 1.000 10.983 50.134 52.811 -99.200 -91.000