============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 14 0.840 121.496 55.307 33.491 -99.200 -91.000 TYR 22 0.840 106.969 53.768 29.719 -99.200 -91.000 HIS 26 0.900 100.160 47.379 28.887 -99.200 -91.000 HIS 28 0.900 94.851 44.968 29.125 -99.200 -91.000 HIS 50 0.900 118.152 51.845 37.464 -99.200 -91.000 PHE 69 1.000 115.790 33.592 34.434 -99.200 -91.000 PHE 77 1.000 109.039 44.939 26.146 -99.200 -91.000 HIS 82 0.900 127.131 45.294 18.977 -99.200 -91.000 HIS 86 0.900 124.486 37.446 16.242 -99.200 -91.000 PHE 92 1.000 114.951 35.026 26.053 -99.200 -91.000 PHE 100 1.000 107.469 43.571 21.372 -99.200 -91.000 PHE 106 1.000 118.449 39.907 15.615 -99.200 -91.000 PHE 113 1.000 123.992 48.536 10.040 -99.200 -91.000 TYR 114 0.840 123.523 44.018 11.628 -99.200 -91.000 TYR 117 0.840 128.520 51.492 9.052 -99.200 -91.000 TYR 118 0.840 125.564 47.961 15.215 -99.200 -91.000 PHE 120 1.000 127.080 41.452 15.503 -99.200 -91.000 HIS 122 0.900 122.455 39.354 12.312 -99.200 -91.000 TYR 124 0.840 121.227 33.609 14.798 -99.200 -91.000 TYR 133 0.840 114.033 50.960 11.864 -99.200 -91.000 TRP 138 1.040 106.435 57.065 9.475 -99.200 -91.000 TRP6 138 1.020 104.907 57.856 7.833 -99.200 -91.000 TYR 155 0.840 122.083 60.766 19.022 -99.200 -91.000 TRP 177 1.040 124.374 63.560 0.484 -99.200 -91.000 TRP6 177 1.020 126.058 62.134 1.361 -99.200 -91.000 PHE 199 1.000 128.491 66.566 36.970 -99.200 -91.000 TYR 207 0.840 128.652 60.883 20.508 -99.200 -91.000 PHE 210 1.000 131.996 63.560 7.698 -99.200 -91.000 HIS 212 0.900 126.339 57.154 16.618 -99.200 -91.000 HIS 214 0.900 122.103 55.485 16.851 -99.200 -91.000 HIS 221 0.900 115.562 50.780 8.492 -99.200 -91.000 PHE 228 1.000 123.385 60.875 14.033 -99.200 -91.000 HIS 231 0.900 126.831 68.000 18.038 -99.200 -91.000 PHE 235 1.000 120.936 67.639 27.483 -99.200 -91.000 HIS 253 0.900 105.051 77.212 7.361 -99.200 -91.000 TYR 264 0.840 104.818 62.182 11.737 -99.200 -91.000 TYR 273 0.840 106.116 72.689 19.876 -99.200 -91.000 PHE 288 1.000 103.234 63.118 24.541 -99.200 -91.000 PHE 293 1.000 107.160 73.320 8.932 -99.200 -91.000 HIS 299 0.900 118.623 77.620 1.916 -99.200 -91.000 PHE 325 1.000 101.808 40.573 22.325 -99.200 -91.000 PHE 327 1.000 97.649 44.416 25.321 -99.200 -91.000