============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 18 0.840 26.204 60.875 2.821 -99.200 -91.000 PHE 27 1.000 29.730 65.081 4.579 -99.200 -91.000 HIS 28 0.900 37.506 64.203 3.886 -99.200 -91.000 PHE 44 1.000 16.621 73.782 -0.344 -99.200 -91.000 HIS 51 0.900 38.034 63.601 -4.645 -99.200 -91.000 HIS 54 0.900 30.826 58.346 -8.116 -99.200 -91.000 PHE 56 1.000 27.429 62.701 -2.747 -99.200 -91.000 TYR 66 0.840 15.761 68.499 10.370 -99.200 -91.000 HIS 78 0.900 8.765 52.210 13.477 -99.200 -91.000 TYR 88 0.840 -6.402 54.584 16.143 -99.200 -91.000 PHE 96 1.000 0.572 73.410 27.495 -99.200 -91.000 PHE 110 1.000 5.327 61.326 14.002 -99.200 -91.000 TYR 124 0.840 7.183 67.655 33.435 -99.200 -91.000 PHE 130 1.000 19.183 58.334 28.402 -99.200 -91.000 TRP 135 1.040 18.461 72.272 24.506 -99.200 -91.000 TRP6 135 1.020 20.415 73.154 25.499 -99.200 -91.000 TRP 140 1.040 20.697 68.200 13.281 -99.200 -91.000 TRP6 140 1.020 19.392 66.226 12.989 -99.200 -91.000 PHE 143 1.000 10.482 70.521 14.720 -99.200 -91.000 TYR 155 0.840 7.036 57.897 37.651 -99.200 -91.000 HIS 165 0.900 -3.794 65.563 22.532 -99.200 -91.000 HIS 179 0.900 0.856 63.700 39.817 -99.200 -91.000 PHE 189 1.000 -8.142 61.186 22.968 -99.200 -91.000 PHE 190 1.000 -2.405 58.414 31.068 -99.200 -91.000 TYR 193 0.840 6.263 52.465 23.087 -99.200 -91.000 HIS 204 0.900 -6.608 49.036 30.049 -99.200 -91.000 PHE 210 1.000 -7.220 58.376 39.689 -99.200 -91.000 TYR 213 0.840 -11.275 61.880 38.779 -99.200 -91.000 PHE 214 1.000 -8.180 59.943 32.633 -99.200 -91.000 PHE 225 1.000 2.678 42.353 8.727 -99.200 -91.000 HIS 243 0.900 5.243 44.286 21.623 -99.200 -91.000 TYR 246 0.840 0.951 45.060 24.218 -99.200 -91.000 PHE 249 1.000 -4.240 55.995 21.555 -99.200 -91.000