============================================================================= 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 21.948 -19.450 16.974 -99.200 -91.000 TYR 15 0.840 21.644 -1.977 10.442 -99.200 -91.000 TYR 19 0.840 18.706 -16.577 5.784 -99.200 -91.000 HIS 56 0.900 10.311 0.214 27.038 -99.200 -91.000 HIS 67 0.900 34.362 -10.723 16.750 -99.200 -91.000 TYR 73 0.840 27.403 -15.094 11.986 -99.200 -91.000 PHE 76 1.000 18.589 -7.862 17.000 -99.200 -91.000 PHE 78 1.000 9.949 -15.018 14.098 -99.200 -91.000 HIS 80 0.900 5.280 -15.712 15.045 -99.200 -91.000 PHE 86 1.000 -2.229 -4.743 11.705 -99.200 -91.000 TYR 103 0.840 -0.124 -1.726 16.772 -99.200 -91.000 PHE 105 1.000 0.685 5.470 26.201 -99.200 -91.000 PHE 113 1.000 14.952 1.381 28.065 -99.200 -91.000 HIS 115 0.900 14.575 9.195 21.360 -99.200 -91.000 HIS 117 0.900 18.741 3.805 29.246 -99.200 -91.000 HIS 121 0.900 15.699 2.421 13.984 -99.200 -91.000 PHE 142 1.000 15.292 3.144 19.059 -99.200 -91.000 PHE 148 1.000 26.891 -3.391 13.326 -99.200 -91.000 TYR 155 0.840 26.592 -9.470 -1.132 -99.200 -91.000 HIS 157 0.900 23.238 -5.883 -5.689 -99.200 -91.000 TRP 163 1.040 9.579 6.867 0.509 -99.200 -91.000 TRP6 163 1.020 7.906 5.233 0.127 -99.200 -91.000 TYR 164 0.840 8.763 5.951 6.553 -99.200 -91.000 TYR 175 0.840 28.820 17.080 14.784 -99.200 -91.000 TYR 176 0.840 22.015 12.373 12.521 -99.200 -91.000 TRP 183 1.040 10.485 13.992 9.830 -99.200 -91.000 TRP6 183 1.020 9.720 16.208 9.486 -99.200 -91.000 PHE 189 1.000 -0.601 9.864 14.768 -99.200 -91.000 PHE 199 1.000 6.194 14.821 4.551 -99.200 -91.000 PHE 209 1.000 13.084 21.106 -3.974 -99.200 -91.000 PHE 212 1.000 12.231 22.352 1.871 -99.200 -91.000 TRP 223 1.040 15.587 24.562 11.781 -99.200 -91.000 TRP6 223 1.020 15.539 22.759 10.252 -99.200 -91.000 TYR 232 0.840 18.452 27.569 3.050 -99.200 -91.000 PHE 236 1.000 16.869 23.990 -0.414 -99.200 -91.000 TRP 239 1.040 6.500 24.648 -3.397 -99.200 -91.000 TRP6 239 1.020 8.584 23.545 -3.587 -99.200 -91.000 PHE 244 1.000 0.171 18.937 10.392 -99.200 -91.000 HIS 264 0.900 6.457 22.209 16.327 -99.200 -91.000 TYR 265 0.840 9.989 22.523 7.931 -99.200 -91.000 HIS 279 0.900 -1.331 15.981 22.104 -99.200 -91.000 PHE 281 1.000 -4.153 10.521 19.096 -99.200 -91.000 PHE 282 1.000 -0.489 9.086 22.755 -99.200 -91.000 HIS 291 0.900 -8.470 -10.884 11.474 -99.200 -91.000