============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 10 1.040 -16.536 24.336 61.990 -99.200 -91.000 TRP6 10 1.020 -15.513 22.730 63.385 -99.200 -91.000 PHE 30 1.000 -12.047 15.165 73.574 -99.200 -91.000 PHE 31 1.000 -17.502 16.776 74.465 -99.200 -91.000 HIS 32 0.900 -13.234 26.205 74.990 -99.200 -91.000 HIS 38 0.900 -9.410 23.780 67.190 -99.200 -91.000 TYR 47 0.840 -6.373 20.421 70.039 -99.200 -91.000 TYR 71 0.840 -5.688 18.709 57.253 -99.200 -91.000 HIS 76 0.900 -10.902 16.542 47.520 -99.200 -91.000 TYR 98 0.840 -23.966 15.856 60.446 -99.200 -91.000 TYR 104 0.840 -15.889 10.585 71.369 -99.200 -91.000 PHE 108 1.000 -13.078 11.144 60.342 -99.200 -91.000 HIS 109 0.900 -10.231 9.610 65.401 -99.200 -91.000 TYR 114 0.840 -4.728 7.002 52.093 -99.200 -91.000 HIS 118 0.900 -2.143 9.107 48.280 -99.200 -91.000 TRP 119 1.040 0.626 16.671 51.077 -99.200 -91.000 TRP6 119 1.020 2.131 17.404 52.741 -99.200 -91.000 TRP 121 1.040 4.527 7.027 48.498 -99.200 -91.000 TRP6 121 1.020 5.594 5.241 49.609 -99.200 -91.000 TYR 131 0.840 7.024 7.772 63.437 -99.200 -91.000 PHE 140 1.000 -5.668 5.451 65.190 -99.200 -91.000 HIS 145 0.900 2.431 1.547 50.941 -99.200 -91.000 HIS 158 0.900 -18.170 -2.021 64.670 -99.200 -91.000 HIS 193 0.900 -1.350 -4.791 47.560 -99.200 -91.000 HIS 233 0.900 -24.211 -1.889 38.924 -99.200 -91.000 HIS 259 0.900 -30.127 -9.505 55.535 -99.200 -91.000 PHE 260 1.000 -23.312 -14.085 52.431 -99.200 -91.000