============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 4 0.840 -1.125 14.538 41.376 -99.200 -91.000 TYR 10 0.840 20.067 19.235 31.136 -99.200 -91.000 HIS 33 0.900 -1.682 17.265 37.093 -99.200 -91.000 TRP 34 1.040 5.610 14.608 32.787 -99.200 -91.000 TRP6 34 1.020 6.191 14.906 30.513 -99.200 -91.000 PHE 58 1.000 0.382 20.493 29.876 -99.200 -91.000 HIS 60 0.900 6.129 24.623 30.758 -99.200 -91.000 TRP 79 1.040 1.269 23.595 41.064 -99.200 -91.000 TRP6 79 1.020 0.302 21.460 40.736 -99.200 -91.000 TYR 103 0.840 8.637 6.933 39.461 -99.200 -91.000 PHE 104 1.000 9.806 13.320 43.917 -99.200 -91.000 TYR 111 0.840 10.970 6.484 34.105 -99.200 -91.000 PHE 116 1.000 4.755 5.209 35.084 -99.200 -91.000 TRP 121 1.040 -2.391 -1.496 44.197 -99.200 -91.000 TRP6 121 1.020 -4.106 0.018 43.565 -99.200 -91.000 TRP 128 1.040 10.243 0.888 41.946 -99.200 -91.000 TRP6 128 1.020 8.437 2.061 42.928 -99.200 -91.000 PHE 138 1.000 18.936 -6.906 40.820 -99.200 -91.000 PHE 151 1.000 17.628 -0.456 51.512 -99.200 -91.000 HIS 152 0.900 22.496 -6.724 44.769 -99.200 -91.000 TRP 155 1.040 29.108 5.191 44.798 -99.200 -91.000 TRP6 155 1.020 27.644 6.958 45.327 -99.200 -91.000 PHE 161 1.000 15.314 6.439 53.604 -99.200 -91.000 PHE 168 1.000 12.211 8.023 46.241 -99.200 -91.000 PHE 183 1.000 13.845 15.187 46.048 -99.200 -91.000 HIS 191 0.900 25.233 10.642 51.202 -99.200 -91.000 HIS 199 0.900 13.503 16.317 55.975 -99.200 -91.000 TRP 219 1.040 15.714 -1.811 32.595 -99.200 -91.000 TRP6 219 1.020 13.390 -1.967 32.187 -99.200 -91.000 HIS 220 0.900 20.506 6.334 36.542 -99.200 -91.000