============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 8 0.840 55.175 32.432 117.442 -99.200 -91.000 TYR 13 0.840 43.162 29.297 109.254 -99.200 -91.000 TYR 21 0.840 51.740 38.105 101.350 -99.200 -91.000 HIS 34 0.900 64.852 39.946 118.189 -99.200 -91.000 TYR 50 0.840 51.581 21.695 114.660 -99.200 -91.000 TYR 53 0.840 60.991 30.004 104.139 -99.200 -91.000 TYR 70 0.840 34.190 27.020 116.786 -99.200 -91.000 HIS 72 0.900 40.809 35.376 119.764 -99.200 -91.000 PHE 78 1.000 31.528 32.520 128.245 -99.200 -91.000 TYR 90 0.840 43.165 40.215 121.149 -99.200 -91.000 HIS 98 0.900 46.709 29.978 124.200 -99.200 -91.000 HIS 99 0.900 46.011 27.905 130.611 -99.200 -91.000 TRP 102 1.040 39.990 20.415 121.495 -99.200 -91.000 TRP6 102 1.020 39.395 22.359 120.285 -99.200 -91.000 TYR 114 0.840 19.794 29.141 127.211 -99.200 -91.000 PHE 115 1.000 22.459 33.239 127.451 -99.200 -91.000