============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 23 1.000 45.938 62.947 -9.546 -99.200 -91.000 PHE 49 1.000 38.567 59.291 -9.360 -99.200 -91.000 PHE 59 1.000 42.972 54.011 -7.801 -99.200 -91.000 PHE 68 1.000 46.612 53.102 -2.028 -99.200 -91.000 HIS 73 0.900 45.575 62.154 2.198 -99.200 -91.000 PHE 75 1.000 41.467 56.417 -4.086 -99.200 -91.000 TYR 82 0.840 28.401 60.484 -11.765 -99.200 -91.000 TRP 83 1.040 24.580 58.654 -5.687 -99.200 -91.000 TRP6 83 1.020 25.283 59.688 -3.687 -99.200 -91.000 HIS 93 0.900 27.604 55.551 -17.432 -99.200 -91.000 HIS 96 0.900 28.101 49.908 -12.949 -99.200 -91.000 PHE 98 1.000 35.275 56.562 -7.079 -99.200 -91.000 TYR 107 0.840 45.677 47.785 -2.431 -99.200 -91.000 PHE 110 1.000 41.746 52.867 -0.049 -99.200 -91.000 HIS 128 0.900 45.015 36.508 2.179 -99.200 -91.000 PHE 139 1.000 24.282 59.457 6.765 -99.200 -91.000 HIS 148 0.900 18.661 51.116 -5.262 -99.200 -91.000 PHE 153 1.000 34.991 46.857 1.206 -99.200 -91.000 PHE 184 1.000 32.574 42.281 5.452 -99.200 -91.000 HIS 193 0.900 19.690 46.808 -0.331 -99.200 -91.000 HIS 205 0.900 31.436 26.578 -9.116 -99.200 -91.000 TYR 221 0.840 17.388 41.627 2.102 -99.200 -91.000 TYR 241 0.840 26.722 33.759 7.706 -99.200 -91.000 TYR 252 0.840 12.978 37.738 4.219 -99.200 -91.000 TYR 260 0.840 18.973 38.537 -6.194 -99.200 -91.000 PHE 273 1.000 22.638 28.861 -1.556 -99.200 -91.000 PHE 278 1.000 24.003 32.086 10.906 -99.200 -91.000 TRP 305 1.040 23.441 23.775 5.976 -99.200 -91.000 TRP6 305 1.020 22.123 25.429 4.905 -99.200 -91.000 TRP 307 1.040 22.432 27.621 10.470 -99.200 -91.000 TRP6 307 1.020 20.679 28.844 9.469 -99.200 -91.000 TYR 332 0.840 16.346 29.371 13.447 -99.200 -91.000