============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 8 0.900 12.014 22.267 6.972 -99.200 -91.000 PHE 9 1.000 19.571 23.211 9.147 -99.200 -91.000 TRP 21 1.040 7.004 35.076 -1.443 -99.200 -91.000 TRP6 21 1.020 8.864 33.683 -1.767 -99.200 -91.000 PHE 23 1.000 6.031 45.102 -0.840 -99.200 -91.000 HIS 33 0.900 16.336 35.153 4.812 -99.200 -91.000 HIS 36 0.900 9.600 40.210 9.294 -99.200 -91.000 HIS 41 0.900 16.261 31.617 10.445 -99.200 -91.000 TYR 49 0.840 18.095 27.461 10.780 -99.200 -91.000 TYR 57 0.840 30.165 42.040 1.924 -99.200 -91.000 TYR 66 0.840 29.698 27.797 -10.364 -99.200 -91.000 PHE 67 1.000 25.138 31.728 -3.783 -99.200 -91.000 TYR 69 0.840 26.552 35.019 1.697 -99.200 -91.000 HIS 91 0.900 29.731 15.276 4.288 -99.200 -91.000 TRP 104 1.040 29.083 18.666 -3.958 -99.200 -91.000 TRP6 104 1.020 27.187 19.848 -4.667 -99.200 -91.000 HIS 121 0.900 26.547 40.513 -7.158 -99.200 -91.000 TYR 124 0.840 23.029 33.569 -13.435 -99.200 -91.000 TYR 132 0.840 13.193 28.232 -2.573 -99.200 -91.000 TYR 136 0.840 21.915 27.871 -5.044 -99.200 -91.000 TYR 141 0.840 34.263 26.605 6.421 -99.200 -91.000 TRP 142 1.040 38.348 31.590 0.258 -99.200 -91.000 TRP6 142 1.020 36.358 31.084 -0.891 -99.200 -91.000 PHE 150 1.000 41.292 46.026 8.875 -99.200 -91.000 TRP 153 1.040 35.839 33.799 8.490 -99.200 -91.000 TRP6 153 1.020 36.906 31.761 7.959 -99.200 -91.000 TYR 155 0.840 30.883 31.537 4.560 -99.200 -91.000 TRP 167 1.040 19.145 30.801 -14.413 -99.200 -91.000 TRP6 167 1.020 19.319 30.809 -12.052 -99.200 -91.000