============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 6 0.840 82.176 42.244 -10.135 -99.200 -91.000 PHE 17 1.000 77.496 29.838 2.830 -99.200 -91.000 TYR 21 0.840 84.991 38.025 1.513 -99.200 -91.000 HIS 36 0.900 86.214 34.931 -3.094 -99.200 -91.000 TRP 45 1.040 84.607 19.177 -9.692 -99.200 -91.000 TRP6 45 1.020 85.550 21.250 -10.282 -99.200 -91.000 PHE 68 1.000 60.573 33.558 -10.348 -99.200 -91.000 TRP 77 1.040 81.268 31.523 -14.859 -99.200 -91.000 TRP6 77 1.020 83.272 30.376 -15.377 -99.200 -91.000 PHE 78 1.000 85.336 37.238 -12.941 -99.200 -91.000 PHE 84 1.000 85.885 26.964 -10.748 -99.200 -91.000 PHE 98 1.000 68.944 30.129 11.779 -99.200 -91.000 PHE 100 1.000 60.965 38.219 8.869 -99.200 -91.000 PHE 115 1.000 58.278 36.116 4.163 -99.200 -91.000 PHE 116 1.000 55.081 26.191 1.903 -99.200 -91.000 TRP 117 1.040 52.049 31.993 -4.322 -99.200 -91.000 TRP6 117 1.020 50.300 30.513 -4.876 -99.200 -91.000 HIS 125 0.900 63.060 30.124 -12.902 -99.200 -91.000 HIS 127 0.900 61.618 20.835 -8.556 -99.200 -91.000 HIS 133 0.900 68.347 24.984 -3.065 -99.200 -91.000 PHE 155 1.000 69.865 27.301 -7.009 -99.200 -91.000 TYR 166 0.840 68.155 13.173 -7.764 -99.200 -91.000 PHE 169 1.000 70.345 15.473 1.450 -99.200 -91.000 TYR 175 0.840 65.131 22.538 6.658 -99.200 -91.000 TRP 180 1.040 69.800 11.123 3.093 -99.200 -91.000 TRP6 180 1.020 71.228 10.319 1.385 -99.200 -91.000 TYR 183 0.840 64.200 2.198 3.344 -99.200 -91.000 HIS 184 0.900 72.531 6.678 3.267 -99.200 -91.000 TYR 186 0.840 67.439 12.268 -2.460 -99.200 -91.000 HIS 187 0.900 62.280 8.048 -7.011 -99.200 -91.000 TRP 194 1.040 61.001 15.468 4.809 -99.200 -91.000 TRP6 194 1.020 59.632 14.053 6.104 -99.200 -91.000 TYR 201 0.840 56.717 22.212 13.328 -99.200 -91.000 PHE 210 1.000 59.806 15.484 11.946 -99.200 -91.000 HIS 212 0.900 67.473 14.263 18.624 -99.200 -91.000 PHE 222 1.000 53.790 19.384 20.856 -99.200 -91.000 PHE 223 1.000 51.672 21.640 13.441 -99.200 -91.000 HIS 233 0.900 44.989 18.258 4.967 -99.200 -91.000 TRP 237 1.040 48.835 15.704 1.081 -99.200 -91.000 TRP6 237 1.020 47.522 17.058 -0.345 -99.200 -91.000 PHE 249 1.000 57.121 21.257 -6.464 -99.200 -91.000 HIS 255 0.900 45.884 22.589 2.276 -99.200 -91.000 TRP 257 1.040 47.505 28.030 5.798 -99.200 -91.000 TRP6 257 1.020 49.737 28.493 5.153 -99.200 -91.000 HIS 271 0.900 52.620 40.345 7.828 -99.200 -91.000 HIS 273 0.900 60.055 47.919 9.220 -99.200 -91.000