============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 6 0.840 31.998 25.440 24.623 -99.200 -91.000 TYR 16 0.840 37.046 15.078 17.026 -99.200 -91.000 HIS 17 0.900 45.247 9.513 13.152 -99.200 -91.000 PHE 21 1.000 43.370 18.023 0.681 -99.200 -91.000 PHE 26 1.000 44.138 2.365 8.727 -99.200 -91.000 PHE 35 1.000 34.877 21.296 17.583 -99.200 -91.000 HIS 54 0.900 48.178 13.518 13.663 -99.200 -91.000 PHE 59 1.000 46.253 22.152 19.416 -99.200 -91.000 HIS 62 0.900 33.451 32.111 21.134 -99.200 -91.000 TYR 72 0.840 45.875 25.897 10.917 -99.200 -91.000 PHE 73 1.000 50.596 25.554 18.489 -99.200 -91.000 HIS 84 0.900 47.898 18.269 6.149 -99.200 -91.000 HIS 90 0.900 36.876 25.243 8.752 -99.200 -91.000 TYR 91 0.840 34.985 14.864 7.370 -99.200 -91.000 TRP 105 1.040 33.042 34.933 6.439 -99.200 -91.000 TRP6 105 1.020 34.551 35.854 4.870 -99.200 -91.000 HIS 113 0.900 42.655 32.275 4.684 -99.200 -91.000 HIS 120 0.900 24.801 14.104 -2.366 -99.200 -91.000 TYR 124 0.840 29.203 17.525 6.902 -99.200 -91.000 PHE 135 1.000 51.371 31.160 -13.377 -99.200 -91.000 HIS 152 0.900 68.129 9.486 -10.764 -99.200 -91.000 HIS 171 0.900 52.625 29.130 1.865 -99.200 -91.000 PHE 206 1.000 62.993 20.833 -6.845 -99.200 -91.000 PHE 207 1.000 52.206 18.609 -8.013 -99.200 -91.000 PHE 209 1.000 51.579 19.048 -13.828 -99.200 -91.000 PHE 223 1.000 59.610 13.263 -5.404 -99.200 -91.000 TRP 245 1.040 52.615 25.884 -15.312 -99.200 -91.000 TRP6 245 1.020 52.417 23.990 -16.700 -99.200 -91.000 HIS 248 0.900 50.566 32.216 -17.523 -99.200 -91.000 HIS 249 0.900 52.476 28.138 -19.411 -99.200 -91.000 HIS 254 0.900 39.500 27.587 -20.188 -99.200 -91.000 HIS 264 0.900 43.092 11.260 -8.911 -99.200 -91.000 PHE 299 1.000 42.459 7.298 16.810 -99.200 -91.000 HIS 300 0.900 34.834 10.875 18.359 -99.200 -91.000 TRP 303 1.040 43.166 15.106 25.025 -99.200 -91.000 TRP6 303 1.020 45.386 14.564 24.483 -99.200 -91.000