============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 14 0.900 49.429 38.316 40.178 -99.200 -91.000 TRP 16 1.040 41.294 36.543 35.030 -99.200 -91.000 TRP6 16 1.020 41.111 37.301 32.792 -99.200 -91.000 TYR 19 0.840 39.238 30.955 40.128 -99.200 -91.000 TYR 20 0.840 40.582 29.783 35.643 -99.200 -91.000 PHE 23 1.000 39.854 25.276 39.410 -99.200 -91.000 TYR 32 0.840 52.395 9.921 25.134 -99.200 -91.000 HIS 56 0.900 56.421 38.949 31.049 -99.200 -91.000 TRP 60 1.040 57.165 35.256 32.288 -99.200 -91.000 TRP6 60 1.020 58.676 36.093 30.656 -99.200 -91.000 PHE 64 1.000 56.399 25.150 26.545 -99.200 -91.000 PHE 74 1.000 49.857 22.209 6.734 -99.200 -91.000 TYR 84 0.840 55.017 16.698 -3.051 -99.200 -91.000 PHE 97 1.000 45.496 7.878 8.731 -99.200 -91.000 TYR 117 0.840 72.821 17.996 10.420 -99.200 -91.000 PHE 122 1.000 62.632 24.121 4.231 -99.200 -91.000 TYR 124 0.840 66.424 21.674 14.144 -99.200 -91.000 HIS 137 0.900 64.956 18.264 27.514 -99.200 -91.000 PHE 141 1.000 66.035 11.886 19.224 -99.200 -91.000 TRP 145 1.040 65.719 6.338 18.815 -99.200 -91.000 TRP6 145 1.020 65.311 6.748 16.533 -99.200 -91.000 HIS 149 0.900 57.629 -0.044 21.959 -99.200 -91.000 TYR 156 0.840 58.742 -0.038 9.852 -99.200 -91.000 TYR 157 0.840 48.066 1.982 7.776 -99.200 -91.000 PHE 163 1.000 48.642 8.052 1.815 -99.200 -91.000 TYR 175 0.840 55.939 12.970 15.251 -99.200 -91.000 HIS 196 0.900 49.226 41.203 12.724 -99.200 -91.000 TYR 199 0.840 54.000 42.485 8.127 -99.200 -91.000 HIS 200 0.900 58.791 38.473 13.079 -99.200 -91.000 HIS 204 0.900 57.668 46.570 11.019 -99.200 -91.000 TYR 224 0.840 46.472 16.095 21.159 -99.200 -91.000 TYR 230 0.840 40.091 24.033 24.297 -99.200 -91.000 PHE 233 1.000 30.631 25.645 25.062 -99.200 -91.000 PHE 255 1.000 45.300 41.515 24.417 -99.200 -91.000 TYR 264 0.840 55.032 24.587 30.808 -99.200 -91.000 TYR 271 0.840 38.049 15.666 26.171 -99.200 -91.000 HIS 282 0.900 38.193 33.994 33.789 -99.200 -91.000 TRP 286 1.040 40.345 40.545 28.376 -99.200 -91.000 TRP6 286 1.020 42.436 39.441 28.493 -99.200 -91.000 PHE 291 1.000 33.671 30.280 15.239 -99.200 -91.000