============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 6 1.000 18.924 -23.187 25.686 -99.200 -91.000 PHE 35 1.000 31.833 -27.161 13.252 -99.200 -91.000 TYR 37 0.840 43.501 -25.574 10.767 -99.200 -91.000 HIS 41 0.900 49.457 -36.669 26.035 -99.200 -91.000 HIS 53 0.900 38.882 -41.509 24.881 -99.200 -91.000 PHE 64 1.000 30.973 -34.205 23.856 -99.200 -91.000 HIS 67 0.900 31.111 -31.853 11.634 -99.200 -91.000 TYR 69 0.840 33.913 -29.532 8.117 -99.200 -91.000 PHE 77 1.000 31.118 -20.011 4.523 -99.200 -91.000 HIS 79 0.900 30.598 -30.634 3.553 -99.200 -91.000 PHE 80 1.000 31.154 -22.788 10.631 -99.200 -91.000 PHE 105 1.000 41.056 -10.364 9.550 -99.200 -91.000 TRP 122 1.040 29.364 -14.342 15.154 -99.200 -91.000 TRP6 122 1.020 31.720 -14.228 15.040 -99.200 -91.000 HIS 135 0.900 38.901 -10.250 22.043 -99.200 -91.000 PHE 147 1.000 36.896 -10.434 13.418 -99.200 -91.000 PHE 185 1.000 22.266 -15.500 23.191 -99.200 -91.000 PHE 189 1.000 21.883 -16.168 34.553 -99.200 -91.000 PHE 194 1.000 25.204 -6.397 22.628 -99.200 -91.000 TYR 195 0.840 35.831 -5.736 23.202 -99.200 -91.000 TYR 198 0.840 41.989 -10.939 32.768 -99.200 -91.000 PHE 204 1.000 40.508 -0.890 32.187 -99.200 -91.000 PHE 205 1.000 38.327 -8.266 34.904 -99.200 -91.000 TYR 228 0.840 17.895 -4.338 15.684 -99.200 -91.000