============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 8 1.000 12.378 -0.873 -3.768 -99.200 -91.000 HIS 27 0.900 19.696 -3.456 18.991 -99.200 -91.000 TYR 29 0.840 12.540 1.828 20.818 -99.200 -91.000 TRP 32 1.040 7.580 -1.850 11.928 -99.200 -91.000 TRP6 32 1.020 8.519 -1.980 9.773 -99.200 -91.000 TYR 33 0.840 10.733 6.196 13.681 -99.200 -91.000 HIS 45 0.900 1.140 0.653 16.367 -99.200 -91.000 TYR 46 0.840 7.015 3.166 22.022 -99.200 -91.000 TYR 62 0.840 0.319 2.144 9.384 -99.200 -91.000 PHE 72 1.000 7.359 -3.567 16.698 -99.200 -91.000 TYR 87 0.840 4.840 2.209 5.722 -99.200 -91.000 PHE 88 1.000 13.446 4.601 6.249 -99.200 -91.000 TYR 93 0.840 22.049 -3.811 22.731 -99.200 -91.000 PHE 101 1.000 22.844 -0.430 16.016 -99.200 -91.000 PHE 102 1.000 16.030 4.928 11.878 -99.200 -91.000 PHE 118 1.000 1.702 1.581 -17.887 -99.200 -91.000 PHE 125 1.000 19.246 7.917 -25.267 -99.200 -91.000 HIS 134 0.900 34.653 20.761 -28.678 -99.200 -91.000 PHE 147 1.000 10.914 4.843 -13.301 -99.200 -91.000 TYR 148 0.840 2.437 4.934 -10.433 -99.200 -91.000 HIS 151 0.900 7.744 1.316 -5.262 -99.200 -91.000 TRP 156 1.040 25.612 3.871 -15.167 -99.200 -91.000 TRP6 156 1.020 25.412 3.944 -17.513 -99.200 -91.000 TRP 157 1.040 25.604 -3.999 -13.303 -99.200 -91.000 TRP6 157 1.020 26.463 -5.584 -11.787 -99.200 -91.000 HIS 164 0.900 29.107 1.505 -6.789 -99.200 -91.000 TYR 185 0.840 7.125 8.618 -10.463 -99.200 -91.000 PHE 197 1.000 36.956 1.325 -19.713 -99.200 -91.000 TRP 198 1.040 33.016 5.758 -26.737 -99.200 -91.000 TRP6 198 1.020 31.115 4.417 -26.377 -99.200 -91.000 HIS 204 0.900 28.351 -5.634 -22.094 -99.200 -91.000 PHE 205 1.000 31.477 1.501 -21.657 -99.200 -91.000 PHE 211 1.000 8.629 -1.620 -12.305 -99.200 -91.000 TYR 212 0.840 12.961 -3.821 -6.349 -99.200 -91.000 TRP 220 1.040 -0.970 -7.921 -16.653 -99.200 -91.000 TRP6 220 1.020 -1.121 -5.714 -15.837 -99.200 -91.000 TRP 237 1.040 28.645 -4.477 -26.586 -99.200 -91.000 TRP6 237 1.020 30.001 -6.164 -25.666 -99.200 -91.000