============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 14 1.040 31.919 62.158 3.408 -99.200 -91.000 TRP6 14 1.020 33.955 61.811 4.537 -99.200 -91.000 PHE 26 1.000 17.859 66.779 -8.526 -99.200 -91.000 PHE 35 1.000 34.922 55.222 -13.989 -99.200 -91.000 TYR 36 0.840 29.993 52.313 -9.991 -99.200 -91.000 HIS 42 0.900 14.038 60.636 -1.813 -99.200 -91.000 TYR 45 0.840 10.671 57.684 -8.691 -99.200 -91.000 PHE 50 1.000 20.262 62.516 -11.975 -99.200 -91.000 HIS 69 0.900 33.064 63.737 -12.767 -99.200 -91.000 HIS 77 0.900 16.378 47.379 -4.067 -99.200 -91.000 PHE 80 1.000 11.597 54.920 -3.957 -99.200 -91.000 TYR 85 0.840 9.441 58.560 -0.167 -99.200 -91.000 PHE 87 1.000 13.180 46.837 -0.414 -99.200 -91.000 PHE 100 1.000 38.571 59.285 -5.362 -99.200 -91.000 TRP 114 1.040 33.699 46.123 12.314 -99.200 -91.000 TRP6 114 1.020 33.753 48.310 11.444 -99.200 -91.000 PHE 130 1.000 26.113 72.269 -1.273 -99.200 -91.000 HIS 134 0.900 11.689 77.150 9.078 -99.200 -91.000 TYR 150 0.840 23.641 55.478 14.149 -99.200 -91.000 PHE 162 1.000 3.704 58.833 6.200 -99.200 -91.000 PHE 169 1.000 20.382 55.007 9.921 -99.200 -91.000 TYR 173 0.840 19.848 66.306 18.296 -99.200 -91.000 HIS 189 0.900 23.937 58.489 9.424 -99.200 -91.000 PHE 193 1.000 35.615 51.447 15.255 -99.200 -91.000 TYR 197 0.840 34.300 61.069 9.753 -99.200 -91.000 PHE 198 1.000 34.564 52.424 8.279 -99.200 -91.000 TRP 205 1.040 11.131 58.281 4.934 -99.200 -91.000 TRP6 205 1.020 9.565 58.429 6.707 -99.200 -91.000 TYR 215 0.840 13.001 60.769 17.054 -99.200 -91.000 TYR 218 0.840 19.334 60.129 8.324 -99.200 -91.000 PHE 224 1.000 18.785 48.366 0.704 -99.200 -91.000 TRP 227 1.040 20.657 46.653 -4.972 -99.200 -91.000 TRP6 227 1.020 21.131 48.934 -5.390 -99.200 -91.000