============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 8 1.000 -15.713 23.827 21.274 -99.200 -91.000 HIS 12 0.900 -13.283 17.825 25.313 -99.200 -91.000 PHE 49 1.000 -15.579 2.065 41.236 -99.200 -91.000 TRP 59 1.040 -22.149 13.461 42.653 -99.200 -91.000 TRP6 59 1.020 -22.077 11.261 41.793 -99.200 -91.000 PHE 61 1.000 -22.250 16.452 31.289 -99.200 -91.000 PHE 73 1.000 -12.194 3.119 31.061 -99.200 -91.000 PHE 74 1.000 -14.383 -1.720 37.507 -99.200 -91.000 HIS 81 0.900 -12.746 -10.930 31.149 -99.200 -91.000 HIS 83 0.900 -19.741 -13.812 32.827 -99.200 -91.000 HIS 113 0.900 -19.211 8.843 29.446 -99.200 -91.000 TRP 117 1.040 -15.976 14.410 28.914 -99.200 -91.000 TRP6 117 1.020 -18.200 13.648 28.700 -99.200 -91.000 TYR 128 0.840 -12.732 -0.553 28.241 -99.200 -91.000 HIS 136 0.900 1.022 4.449 21.865 -99.200 -91.000 PHE 159 1.000 -27.460 25.640 6.693 -99.200 -91.000 PHE 168 1.000 -18.987 29.616 1.385 -99.200 -91.000 TYR 178 0.840 -10.198 25.425 14.366 -99.200 -91.000 TYR 188 0.840 -0.102 9.549 18.274 -99.200 -91.000 TYR 190 0.840 -0.852 2.829 8.298 -99.200 -91.000 PHE 192 1.000 3.723 6.910 17.832 -99.200 -91.000 PHE 198 1.000 -8.927 -1.585 17.331 -99.200 -91.000 TYR 199 0.840 -9.687 -8.964 14.614 -99.200 -91.000 PHE 205 1.000 -11.024 -5.716 27.529 -99.200 -91.000 TYR 206 0.840 -12.688 -0.924 22.454 -99.200 -91.000 TYR 216 0.840 -28.457 2.000 25.604 -99.200 -91.000 PHE 227 1.000 -23.044 11.061 14.123 -99.200 -91.000 HIS 231 0.900 -28.095 15.594 9.222 -99.200 -91.000 TRP 234 1.040 -20.843 15.578 3.073 -99.200 -91.000 TRP6 234 1.020 -21.808 13.427 2.820 -99.200 -91.000 TYR 243 0.840 -24.823 10.078 5.201 -99.200 -91.000 PHE 246 1.000 -22.069 6.685 10.306 -99.200 -91.000 TYR 250 0.840 -22.307 4.515 15.389 -99.200 -91.000 TYR 253 0.840 -24.347 5.006 21.376 -99.200 -91.000 TYR 258 0.840 -21.267 18.793 19.543 -99.200 -91.000 TYR 262 0.840 -28.932 13.915 12.511 -99.200 -91.000 PHE 265 1.000 -27.941 23.453 10.702 -99.200 -91.000 HIS 288 0.900 -14.899 38.687 -5.046 -99.200 -91.000 PHE 300 1.000 -17.391 18.405 0.281 -99.200 -91.000 PHE 306 1.000 -11.531 10.344 9.518 -99.200 -91.000 HIS 310 0.900 -11.552 5.125 9.955 -99.200 -91.000 TYR 318 0.840 -12.245 -4.689 12.311 -99.200 -91.000 TYR 321 0.840 -17.241 -9.204 7.175 -99.200 -91.000 TYR 334 0.840 -13.235 9.458 -3.129 -99.200 -91.000