============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 15 1.000 66.747 29.722 180.937 -99.200 -91.000 TYR 25 0.840 70.409 31.161 172.006 -99.200 -91.000 HIS 54 0.900 56.685 39.068 171.949 -99.200 -91.000 HIS 57 0.900 59.368 32.543 172.362 -99.200 -91.000 HIS 85 0.900 44.846 34.880 169.955 -99.200 -91.000 PHE 93 1.000 58.756 37.807 168.189 -99.200 -91.000 HIS 97 0.900 61.728 40.575 166.249 -99.200 -91.000 TYR 108 0.840 51.170 24.519 173.197 -99.200 -91.000 TYR 109 0.840 45.057 22.353 178.343 -99.200 -91.000 TYR 118 0.840 43.176 23.224 155.087 -99.200 -91.000 HIS 120 0.900 47.374 26.683 164.740 -99.200 -91.000 TYR 121 0.840 50.273 23.661 161.611 -99.200 -91.000 TYR 135 0.840 58.062 19.985 167.019 -99.200 -91.000 PHE 154 1.000 54.575 19.876 149.679 -99.200 -91.000 TYR 161 0.840 60.384 23.747 154.682 -99.200 -91.000 HIS 178 0.900 49.650 7.762 150.217 -99.200 -91.000 TYR 191 0.840 70.398 4.617 157.618 -99.200 -91.000 HIS 217 0.900 75.277 17.802 154.759 -99.200 -91.000 PHE 218 1.000 79.701 9.864 155.723 -99.200 -91.000 TYR 224 0.840 70.714 5.686 151.718 -99.200 -91.000 TYR 235 0.840 69.315 2.980 170.401 -99.200 -91.000 PHE 242 1.000 65.201 12.754 173.445 -99.200 -91.000 TYR 254 0.840 77.247 21.451 185.374 -99.200 -91.000 PHE 264 1.000 67.405 21.861 183.276 -99.200 -91.000 PHE 276 1.000 75.215 15.301 187.045 -99.200 -91.000 TYR 285 0.840 78.512 8.470 172.149 -99.200 -91.000 PHE 290 1.000 82.052 26.789 173.881 -99.200 -91.000