============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. HIS 3 0.900 37.671 34.182 2.171 -99.200 -91.000 PHE 5 1.000 31.985 26.615 6.061 -99.200 -91.000 TYR 23 0.840 30.176 29.140 0.541 -99.200 -91.000 PHE 25 1.000 23.475 24.007 7.316 -99.200 -91.000 HIS 26 0.900 24.943 26.468 -2.967 -99.200 -91.000 TYR 28 0.840 27.222 19.058 3.987 -99.200 -91.000 PHE 34 1.000 29.607 18.911 -8.551 -99.200 -91.000 PHE 58 1.000 33.287 14.017 -0.980 -99.200 -91.000 TYR 60 0.840 30.734 14.803 -12.116 -99.200 -91.000 TYR 68 0.840 33.179 25.490 -4.622 -99.200 -91.000 HIS 76 0.900 34.854 18.890 11.524 -99.200 -91.000 TYR 77 0.840 32.021 22.224 9.450 -99.200 -91.000 HIS 79 0.900 27.698 16.890 13.800 -99.200 -91.000 TYR 81 0.840 22.622 18.826 4.073 -99.200 -91.000 HIS 84 0.900 19.270 23.724 6.704 -99.200 -91.000 PHE 98 1.000 26.026 26.809 20.655 -99.200 -91.000 TRP 108 1.040 25.901 25.643 15.075 -99.200 -91.000 TRP6 108 1.020 26.587 24.857 12.951 -99.200 -91.000 TYR 113 0.840 28.232 15.373 17.379 -99.200 -91.000 HIS 123 0.900 11.988 9.081 14.042 -99.200 -91.000 TRP 125 1.040 17.032 4.670 21.537 -99.200 -91.000 TRP6 125 1.020 18.074 6.661 22.257 -99.200 -91.000 PHE 131 1.000 22.262 10.933 9.055 -99.200 -91.000 HIS 134 0.900 15.652 15.430 4.554 -99.200 -91.000 TRP 140 1.040 25.046 14.011 2.476 -99.200 -91.000 TRP6 140 1.020 27.207 14.642 1.742 -99.200 -91.000 TYR 141 0.840 29.023 6.136 3.021 -99.200 -91.000 HIS 151 0.900 25.712 0.810 21.146 -99.200 -91.000