============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 2 0.840 -5.563 26.678 54.156 -99.200 -91.000 HIS 6 0.900 -11.660 29.347 62.169 -99.200 -91.000 HIS 14 0.900 -21.872 24.080 47.241 -99.200 -91.000 PHE 16 1.000 -11.258 27.723 48.055 -99.200 -91.000 PHE 36 1.000 -16.622 14.360 60.905 -99.200 -91.000 TYR 63 0.840 -26.386 16.059 58.954 -99.200 -91.000 PHE 71 1.000 -18.455 14.273 55.499 -99.200 -91.000 PHE 81 1.000 -4.101 22.577 49.944 -99.200 -91.000 HIS 83 0.900 1.817 18.408 44.006 -99.200 -91.000 PHE 113 1.000 1.206 -1.271 49.342 -99.200 -91.000 HIS 117 0.900 2.734 -5.967 50.069 -99.200 -91.000 PHE 121 1.000 6.597 -2.553 48.062 -99.200 -91.000 TYR 139 0.840 0.244 23.452 45.149 -99.200 -91.000 TYR 145 0.840 -3.310 22.601 55.374 -99.200 -91.000 HIS 147 0.900 -1.458 16.879 57.077 -99.200 -91.000 PHE 168 1.000 -5.058 17.793 52.793 -99.200 -91.000 TRP 175 1.040 3.757 10.242 62.940 -99.200 -91.000 TRP6 175 1.020 2.590 8.781 64.384 -99.200 -91.000 TYR 183 0.840 7.050 27.849 71.617 -99.200 -91.000 PHE 186 1.000 1.256 22.211 65.955 -99.200 -91.000 TRP 193 1.040 10.005 16.037 64.567 -99.200 -91.000 TRP6 193 1.020 11.990 16.396 65.780 -99.200 -91.000 TYR 195 0.840 9.531 13.735 53.862 -99.200 -91.000 TRP 200 1.040 12.731 5.203 62.145 -99.200 -91.000 TRP6 200 1.020 11.010 3.928 63.144 -99.200 -91.000 TYR 205 0.840 9.737 -2.472 53.689 -99.200 -91.000 TYR 210 0.840 9.912 8.748 68.712 -99.200 -91.000 TRP 211 1.040 9.975 0.723 68.242 -99.200 -91.000 TRP6 211 1.020 11.818 2.015 68.986 -99.200 -91.000 TYR 226 0.840 19.037 9.322 74.477 -99.200 -91.000 TYR 239 0.840 19.701 7.356 61.402 -99.200 -91.000 TRP 246 1.040 13.421 13.137 62.855 -99.200 -91.000 TRP6 246 1.020 14.278 10.949 62.837 -99.200 -91.000 PHE 256 1.000 7.859 19.487 53.781 -99.200 -91.000