============================================================================= 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. TYR 4 0.840 30.180 67.396 -10.004 -99.200 -91.000 TYR 15 0.840 28.499 50.929 -6.866 -99.200 -91.000 PHE 18 1.000 28.556 48.781 -11.911 -99.200 -91.000 PHE 26 1.000 21.609 42.503 -3.718 -99.200 -91.000 PHE 28 1.000 20.616 49.566 -5.341 -99.200 -91.000 TRP 37 1.040 27.742 55.213 -1.154 -99.200 -91.000 TRP6 37 1.020 27.249 53.697 -2.913 -99.200 -91.000 HIS 44 0.900 32.353 68.503 5.901 -99.200 -91.000 PHE 47 1.000 32.709 68.579 1.028 -99.200 -91.000 TYR 60 0.840 31.163 66.450 -3.063 -99.200 -91.000 PHE 76 1.000 38.224 45.565 -19.873 -99.200 -91.000 PHE 106 1.000 25.751 55.346 17.539 -99.200 -91.000 TYR 110 0.840 22.221 58.564 10.521 -99.200 -91.000 PHE 114 1.000 28.313 58.897 10.764 -99.200 -91.000 TYR 121 0.840 37.702 67.123 1.210 -99.200 -91.000 PHE 127 1.000 48.962 61.492 11.581 -99.200 -91.000 TYR 145 0.840 33.061 62.441 7.106 -99.200 -91.000 TRP 157 1.040 39.005 42.377 12.620 -99.200 -91.000 TRP6 157 1.020 39.222 44.185 11.095 -99.200 -91.000 PHE 182 1.000 51.023 55.554 11.615 -99.200 -91.000 PHE 186 1.000 49.293 58.473 7.301 -99.200 -91.000 TYR 195 0.840 31.309 60.221 -1.690 -99.200 -91.000 TYR 205 0.840 34.941 52.660 14.609 -99.200 -91.000 PHE 206 1.000 31.310 56.118 14.444 -99.200 -91.000