============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 31 1.040 18.726 37.949 168.567 -99.200 -91.000 TRP6 31 1.020 20.313 37.606 170.274 -99.200 -91.000 PHE 49 1.000 8.135 33.626 179.285 -99.200 -91.000 TYR 58 0.840 3.001 33.454 182.713 -99.200 -91.000 PHE 108 1.000 -53.002 50.656 231.877 -99.200 -91.000 TYR 117 0.840 -48.910 40.659 215.619 -99.200 -91.000 TYR 127 0.840 -51.642 41.785 204.604 -99.200 -91.000 PHE 128 1.000 -49.915 39.935 209.079 -99.200 -91.000 TYR 132 0.840 -53.547 43.638 213.966 -99.200 -91.000 HIS 137 0.900 -49.968 53.344 216.656 -99.200 -91.000 HIS 150 0.900 -54.141 54.963 235.715 -99.200 -91.000 TYR 162 0.840 -57.688 51.978 218.249 -99.200 -91.000 PHE 171 1.000 -52.378 39.127 219.898 -99.200 -91.000 PHE 176 1.000 -57.671 43.046 211.158 -99.200 -91.000 TRP 194 1.040 -66.111 48.845 202.999 -99.200 -91.000 TRP6 194 1.020 -68.286 49.727 202.706 -99.200 -91.000 TYR 196 0.840 -55.885 53.083 200.158 -99.200 -91.000 PHE 199 1.000 -49.433 46.524 201.143 -99.200 -91.000 PHE 205 1.000 -48.141 45.276 213.641 -99.200 -91.000 HIS 218 0.900 -23.999 47.983 208.439 -99.200 -91.000 PHE 228 1.000 -14.925 46.189 193.948 -99.200 -91.000 PHE 233 1.000 -5.302 46.762 195.907 -99.200 -91.000 HIS 242 0.900 -4.248 42.151 177.967 -99.200 -91.000 PHE 245 1.000 3.112 37.755 178.671 -99.200 -91.000 PHE 248 1.000 8.925 39.568 174.008 -99.200 -91.000 HIS 252 0.900 11.211 44.707 171.785 -99.200 -91.000 PHE 257 1.000 11.074 32.980 172.156 -99.200 -91.000