============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 1 0.840 31.469 11.447 -7.259 -99.200 -91.000 TYR 43 0.840 6.106 25.421 -6.485 -99.200 -91.000 TYR 44 0.840 0.340 19.326 -3.862 -99.200 -91.000 TRP 45 1.040 4.792 28.093 -0.623 -99.200 -91.000 TRP6 45 1.020 6.928 27.390 0.114 -99.200 -91.000 TYR 53 0.840 4.836 30.216 -17.677 -99.200 -91.000 PHE 59 1.000 24.167 30.252 -9.504 -99.200 -91.000 HIS 65 0.900 36.366 29.262 -4.712 -99.200 -91.000 TYR 72 0.840 26.527 37.091 -3.174 -99.200 -91.000 HIS 76 0.900 23.678 38.763 -1.604 -99.200 -91.000 HIS 77 0.900 16.444 32.811 -5.253 -99.200 -91.000 TYR 79 0.840 11.597 31.867 -5.804 -99.200 -91.000 TYR 96 0.840 34.441 24.139 -18.155 -99.200 -91.000 TRP 99 1.040 37.944 29.894 -17.950 -99.200 -91.000 TRP6 99 1.020 35.640 29.551 -17.489 -99.200 -91.000