============================================================================= 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 4 1.000 15.612 -0.771 27.278 -99.200 -91.000 PHE 6 1.000 22.002 -2.275 23.760 -99.200 -91.000 PHE 32 1.000 16.220 7.194 10.203 -99.200 -91.000 TYR 62 0.840 5.669 22.456 20.634 -99.200 -91.000 HIS 63 0.900 5.326 19.343 16.360 -99.200 -91.000 HIS 80 0.900 2.134 2.147 20.883 -99.200 -91.000 PHE 82 1.000 -5.366 9.715 16.927 -99.200 -91.000 TRP 85 1.040 4.706 1.660 15.169 -99.200 -91.000 TRP6 85 1.020 5.831 0.954 13.203 -99.200 -91.000 TYR 96 0.840 15.333 20.787 18.297 -99.200 -91.000 PHE 104 1.000 4.605 25.297 25.170 -99.200 -91.000 HIS 116 0.900 0.439 6.623 31.759 -99.200 -91.000 PHE 126 1.000 10.501 19.659 29.721 -99.200 -91.000 TYR 132 0.840 28.030 25.282 18.030 -99.200 -91.000 TRP 149 1.040 14.104 20.923 34.916 -99.200 -91.000 TRP6 149 1.020 13.574 22.161 32.962 -99.200 -91.000 PHE 157 1.000 9.491 5.350 33.198 -99.200 -91.000 PHE 170 1.000 16.597 4.962 25.678 -99.200 -91.000 PHE 178 1.000 32.144 24.544 26.236 -99.200 -91.000 PHE 194 1.000 17.742 8.784 33.529 -99.200 -91.000 TYR 197 0.840 22.477 6.236 30.581 -99.200 -91.000 PHE 212 1.000 31.220 12.247 12.274 -99.200 -91.000 PHE 217 1.000 34.575 15.733 24.153 -99.200 -91.000 HIS 228 0.900 26.258 4.074 24.320 -99.200 -91.000 TYR 229 0.840 17.344 9.069 20.384 -99.200 -91.000 PHE 250 1.000 22.659 6.794 14.326 -99.200 -91.000 PHE 258 1.000 19.071 11.338 1.972 -99.200 -91.000 TRP 260 1.040 23.049 2.068 -1.757 -99.200 -91.000 TRP6 260 1.020 23.548 2.160 0.546 -99.200 -91.000 PHE 271 1.000 18.149 13.234 -11.644 -99.200 -91.000 HIS 283 0.900 17.951 -5.177 -2.663 -99.200 -91.000 TRP 290 1.040 5.475 4.007 -10.136 -99.200 -91.000 TRP6 290 1.020 5.022 2.897 -8.113 -99.200 -91.000 TYR 294 0.840 4.562 8.383 -12.260 -99.200 -91.000 HIS 296 0.900 11.855 16.175 -13.589 -99.200 -91.000 HIS 297 0.900 4.029 14.521 -14.258 -99.200 -91.000 HIS 313 0.900 15.026 5.632 -2.733 -99.200 -91.000 PHE 317 1.000 20.382 5.171 0.727 -99.200 -91.000 TYR 318 0.840 18.298 8.112 6.181 -99.200 -91.000 PHE 334 1.000 30.592 0.529 11.034 -99.200 -91.000 PHE 337 1.000 28.466 -0.132 4.959 -99.200 -91.000 PHE 341 1.000 27.679 5.743 3.243 -99.200 -91.000 TYR 345 0.840 25.964 9.623 0.699 -99.200 -91.000 PHE 346 1.000 30.734 12.129 1.560 -99.200 -91.000