============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 2 0.840 17.476 20.330 19.106 -99.200 -91.000 PHE 6 1.000 13.020 10.440 22.201 -99.200 -91.000 TRP 20 1.040 8.168 17.935 9.720 -99.200 -91.000 TRP6 20 1.020 6.414 19.266 8.916 -99.200 -91.000 PHE 25 1.000 7.089 12.891 15.261 -99.200 -91.000 PHE 28 1.000 7.432 1.647 21.115 -99.200 -91.000 TRP 32 1.040 -2.870 -9.750 16.736 -99.200 -91.000 TRP6 32 1.020 -1.964 -9.070 14.661 -99.200 -91.000 PHE 36 1.000 5.566 -12.801 28.544 -99.200 -91.000 TRP 54 1.040 2.501 3.213 23.111 -99.200 -91.000 TRP6 54 1.020 4.023 1.558 23.819 -99.200 -91.000 PHE 55 1.000 0.457 3.452 14.810 -99.200 -91.000 HIS 58 0.900 -3.572 -7.811 21.461 -99.200 -91.000 PHE 72 1.000 3.614 5.885 26.832 -99.200 -91.000 HIS 77 0.900 -0.091 -2.707 13.066 -99.200 -91.000 PHE 80 1.000 -7.399 -3.118 6.514 -99.200 -91.000 HIS 88 0.900 -11.965 -12.397 5.269 -99.200 -91.000 HIS 112 0.900 0.517 -7.544 10.776 -99.200 -91.000 PHE 123 1.000 -6.509 3.439 6.998 -99.200 -91.000 TYR 130 0.840 -1.848 13.243 12.498 -99.200 -91.000 TRP 138 1.040 18.556 3.732 7.921 -99.200 -91.000 TRP6 138 1.020 20.816 4.168 7.499 -99.200 -91.000 TRP 147 1.040 2.518 13.069 1.129 -99.200 -91.000 TRP6 147 1.020 4.193 11.468 1.529 -99.200 -91.000 HIS 149 0.900 -4.207 10.450 0.454 -99.200 -91.000 TRP 150 1.040 -6.065 11.485 -3.288 -99.200 -91.000 TRP6 150 1.020 -4.089 10.262 -3.683 -99.200 -91.000 TYR 158 0.840 7.291 2.727 9.085 -99.200 -91.000 TRP 160 1.040 16.247 1.526 12.296 -99.200 -91.000 TRP6 160 1.020 15.422 0.216 14.090 -99.200 -91.000 TYR 168 0.840 16.053 -2.595 3.512 -99.200 -91.000 TRP 170 1.040 19.365 -0.788 7.293 -99.200 -91.000 TRP6 170 1.020 17.127 -0.095 7.401 -99.200 -91.000 PHE 172 1.000 19.220 -4.643 15.144 -99.200 -91.000 PHE 176 1.000 27.082 7.241 13.089 -99.200 -91.000 TYR 178 0.840 21.966 3.127 11.756 -99.200 -91.000 TRP 179 1.040 18.466 6.019 13.535 -99.200 -91.000 TRP6 179 1.020 17.266 7.747 14.595 -99.200 -91.000 TYR 180 0.840 18.312 13.665 14.334 -99.200 -91.000 PHE 190 1.000 12.548 0.711 18.248 -99.200 -91.000 HIS 191 0.900 7.189 -4.959 14.737 -99.200 -91.000 HIS 194 0.900 11.118 -8.732 16.288 -99.200 -91.000 TYR 196 0.840 10.227 -10.367 27.352 -99.200 -91.000 TYR 204 0.840 9.025 -13.408 15.354 -99.200 -91.000 HIS 211 0.900 7.776 -15.750 19.317 -99.200 -91.000 TRP 220 1.040 13.995 -18.976 23.634 -99.200 -91.000 TRP6 220 1.020 14.840 -19.989 21.701 -99.200 -91.000 PHE 230 1.000 18.408 1.443 16.595 -99.200 -91.000