============================================================================= 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. TYR 4 0.840 57.852 21.025 49.943 -99.200 -91.000 TRP 6 1.040 62.251 21.129 47.746 -99.200 -91.000 TRP6 6 1.020 61.161 23.020 46.817 -99.200 -91.000 TYR 29 0.840 63.469 25.324 32.902 -99.200 -91.000 PHE 42 1.000 66.806 14.488 41.238 -99.200 -91.000 PHE 53 1.000 65.281 26.445 38.373 -99.200 -91.000 TYR 57 0.840 65.329 31.425 36.185 -99.200 -91.000 PHE 70 1.000 66.317 22.344 47.336 -99.200 -91.000 TYR 74 0.840 62.971 28.162 49.267 -99.200 -91.000 PHE 86 1.000 52.583 33.101 33.697 -99.200 -91.000 TYR 88 0.840 46.101 28.115 41.965 -99.200 -91.000 TRP 98 1.040 40.083 27.010 40.070 -99.200 -91.000 TRP6 98 1.020 41.790 26.659 38.500 -99.200 -91.000 TRP 117 1.040 55.324 26.407 39.542 -99.200 -91.000 TRP6 117 1.020 57.190 27.749 40.124 -99.200 -91.000 HIS 124 0.900 64.807 33.824 32.743 -99.200 -91.000 PHE 137 1.000 37.949 24.175 35.581 -99.200 -91.000 HIS 154 0.900 41.200 25.617 27.399 -99.200 -91.000 TYR 156 0.840 40.085 16.077 31.361 -99.200 -91.000 HIS 158 0.900 46.182 17.965 32.252 -99.200 -91.000 PHE 169 1.000 47.640 35.572 18.217 -99.200 -91.000 HIS 179 0.900 59.901 26.496 27.733 -99.200 -91.000 PHE 181 1.000 52.666 24.570 28.080 -99.200 -91.000 TYR 189 0.840 43.754 22.216 14.492 -99.200 -91.000 HIS 192 0.900 42.506 26.227 18.209 -99.200 -91.000 HIS 195 0.900 42.612 30.686 20.930 -99.200 -91.000 HIS 197 0.900 44.525 24.284 23.474 -99.200 -91.000 PHE 205 1.000 46.363 17.736 16.707 -99.200 -91.000 TRP 206 1.040 53.539 19.738 19.703 -99.200 -91.000 TRP6 206 1.020 55.882 19.565 19.512 -99.200 -91.000