============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 12 1.000 -11.610 65.588 6.549 -99.200 -91.000 HIS 18 0.900 -30.284 68.531 2.242 -99.200 -91.000 TYR 22 0.840 -20.765 56.652 8.458 -99.200 -91.000 HIS 28 0.900 -7.743 59.457 -3.306 -99.200 -91.000 PHE 38 1.000 -16.544 67.193 -4.988 -99.200 -91.000 PHE 39 1.000 -12.539 57.695 -8.591 -99.200 -91.000 TYR 44 0.840 -10.892 60.728 -11.485 -99.200 -91.000 HIS 49 0.900 -20.144 76.559 -15.461 -99.200 -91.000 PHE 51 1.000 -18.866 68.236 -15.255 -99.200 -91.000 HIS 54 0.900 -31.851 69.643 -5.925 -99.200 -91.000 HIS 57 0.900 -33.965 74.303 0.570 -99.200 -91.000 PHE 63 1.000 -19.561 63.530 -17.145 -99.200 -91.000 HIS 73 0.900 -21.677 73.370 4.399 -99.200 -91.000 HIS 79 0.900 -13.077 80.147 -3.728 -99.200 -91.000 TRP 103 1.040 -13.362 73.441 13.922 -99.200 -91.000 TRP6 103 1.020 -11.580 74.985 13.653 -99.200 -91.000 PHE 105 1.000 -15.381 69.057 5.387 -99.200 -91.000 TYR 106 0.840 -9.313 77.230 8.103 -99.200 -91.000 TYR 122 0.840 -5.098 83.757 -7.283 -99.200 -91.000 PHE 123 1.000 -13.949 83.639 -13.368 -99.200 -91.000 TYR 150 0.840 -26.720 86.034 2.450 -99.200 -91.000 PHE 154 1.000 -31.401 86.101 8.134 -99.200 -91.000 PHE 157 1.000 -33.609 85.433 16.983 -99.200 -91.000 PHE 163 1.000 -18.722 88.223 8.672 -99.200 -91.000 PHE 165 1.000 -13.254 85.742 3.427 -99.200 -91.000 PHE 179 1.000 -29.224 80.307 8.022 -99.200 -91.000 PHE 181 1.000 -35.049 81.312 9.157 -99.200 -91.000 TRP 183 1.040 -40.508 80.288 8.586 -99.200 -91.000 TRP6 183 1.020 -39.364 81.491 10.263 -99.200 -91.000 HIS 187 0.900 -41.045 72.947 1.131 -99.200 -91.000 TYR 211 0.840 -37.276 75.360 17.906 -99.200 -91.000 TYR 218 0.840 -18.793 83.278 15.001 -99.200 -91.000 HIS 225 0.900 -23.896 77.672 6.124 -99.200 -91.000 PHE 228 1.000 -17.847 77.373 4.959 -99.200 -91.000 TYR 235 0.840 -11.955 76.314 -5.593 -99.200 -91.000 PHE 245 1.000 -17.760 87.501 -6.214 -99.200 -91.000 TYR 246 0.840 -25.458 93.770 -1.345 -99.200 -91.000 PHE 248 1.000 -31.946 92.113 0.325 -99.200 -91.000 HIS 252 0.900 -25.947 76.449 -1.454 -99.200 -91.000