============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 27 0.840 113.217 131.434 204.037 -99.200 -91.000 PHE 29 1.000 118.920 129.083 201.379 -99.200 -91.000 PHE 32 1.000 112.725 130.201 209.148 -99.200 -91.000 HIS 35 0.900 110.911 118.770 205.991 -99.200 -91.000 TRP 36 1.040 114.423 119.471 198.540 -99.200 -91.000 TRP6 36 1.020 113.931 120.542 196.489 -99.200 -91.000 PHE 45 1.000 100.995 116.444 198.464 -99.200 -91.000 TRP 47 1.040 110.575 114.350 204.519 -99.200 -91.000 TRP6 47 1.020 111.915 112.685 205.537 -99.200 -91.000 TRP 50 1.040 115.210 116.768 207.690 -99.200 -91.000 TRP6 50 1.020 117.206 117.523 208.697 -99.200 -91.000 TYR 54 0.840 124.217 128.412 211.267 -99.200 -91.000 PHE 60 1.000 120.058 112.119 202.052 -99.200 -91.000 PHE 64 1.000 112.002 109.004 197.461 -99.200 -91.000 PHE 70 1.000 117.444 115.722 200.286 -99.200 -91.000 TYR 80 0.840 120.852 124.457 193.123 -99.200 -91.000 TYR 94 0.840 110.205 114.476 192.057 -99.200 -91.000 TYR 95 0.840 104.182 120.061 195.155 -99.200 -91.000 TYR 102 0.840 113.800 125.707 217.863 -99.200 -91.000 TRP 104 1.040 107.507 131.172 222.755 -99.200 -91.000 TRP6 104 1.020 106.452 130.533 224.774 -99.200 -91.000 TYR 111 0.840 113.308 120.044 211.458 -99.200 -91.000 TRP 115 1.040 103.661 122.990 201.468 -99.200 -91.000 TRP6 115 1.020 103.643 120.706 200.853 -99.200 -91.000 PHE 134 1.000 92.362 110.156 164.288 -99.200 -91.000 TYR 157 0.840 98.632 114.690 173.771 -99.200 -91.000 PHE 158 1.000 106.247 111.671 176.298 -99.200 -91.000 TRP 166 1.040 85.438 122.866 171.039 -99.200 -91.000 TRP6 166 1.020 85.078 121.229 169.368 -99.200 -91.000 HIS 176 0.900 82.030 120.229 180.595 -99.200 -91.000 PHE 178 1.000 85.388 114.986 179.252 -99.200 -91.000 TYR 188 0.840 101.075 112.247 179.016 -99.200 -91.000 TYR 206 0.840 78.688 123.817 166.229 -99.200 -91.000 HIS 212 0.900 102.047 117.747 171.579 -99.200 -91.000 HIS 232 0.900 72.552 108.039 149.549 -99.200 -91.000 PHE 249 1.000 65.989 127.507 117.621 -99.200 -91.000 PHE 251 1.000 62.717 133.852 119.341 -99.200 -91.000 HIS 276 0.900 76.520 123.991 132.689 -99.200 -91.000 PHE 283 1.000 74.634 136.389 121.357 -99.200 -91.000 TRP 285 1.040 73.475 142.099 117.193 -99.200 -91.000 TRP6 285 1.020 71.391 140.983 117.085 -99.200 -91.000 TYR 286 0.840 77.752 140.727 110.081 -99.200 -91.000 HIS 293 0.900 80.583 146.736 116.061 -99.200 -91.000 TYR 304 0.840 63.918 121.364 135.368 -99.200 -91.000 TYR 308 0.840 75.662 128.312 131.285 -99.200 -91.000 HIS 318 0.900 59.912 153.083 115.775 -99.200 -91.000 TRP 321 1.040 60.063 145.415 111.246 -99.200 -91.000 TRP6 321 1.020 61.242 143.403 111.625 -99.200 -91.000 TYR 327 0.840 67.152 145.095 111.243 -99.200 -91.000 TYR 357 0.840 32.938 146.364 109.420 -99.200 -91.000 PHE 380 1.000 44.173 141.631 109.673 -99.200 -91.000 TYR 381 0.840 49.310 139.974 102.713 -99.200 -91.000 TRP 389 1.040 38.564 145.438 122.861 -99.200 -91.000 TRP6 389 1.020 36.395 146.088 122.172 -99.200 -91.000 TYR 399 0.840 42