============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 22 1.000 39.828 9.066 60.512 -99.200 -91.000 TYR 33 0.840 31.128 -2.134 55.705 -99.200 -91.000 HIS 36 0.900 32.312 4.747 46.641 -99.200 -91.000 TYR 37 0.840 35.087 13.355 51.782 -99.200 -91.000 TYR 44 0.840 25.191 15.185 39.677 -99.200 -91.000 HIS 53 0.900 33.889 14.363 42.485 -99.200 -91.000 TYR 63 0.840 47.203 11.124 65.817 -99.200 -91.000 TRP 66 1.040 42.759 13.023 58.887 -99.200 -91.000 TRP6 66 1.020 44.381 14.606 59.448 -99.200 -91.000 PHE 67 1.000 42.210 13.669 54.012 -99.200 -91.000 PHE 69 1.000 39.667 12.346 49.149 -99.200 -91.000 PHE 91 1.000 16.806 19.635 59.198 -99.200 -91.000 PHE 95 1.000 20.961 17.833 57.800 -99.200 -91.000 TYR 97 0.840 16.102 23.734 49.681 -99.200 -91.000 TYR 100 0.840 12.856 18.185 50.270 -99.200 -91.000 PHE 127 1.000 10.681 12.752 67.515 -99.200 -91.000 TRP 130 1.040 5.342 14.090 68.189 -99.200 -91.000 TRP6 130 1.020 6.144 16.097 67.272 -99.200 -91.000 PHE 131 1.000 9.216 10.397 72.701 -99.200 -91.000 PHE 150 1.000 8.483 28.202 80.764 -99.200 -91.000 TRP 151 1.040 12.675 34.957 84.846 -99.200 -91.000 TRP6 151 1.020 12.557 37.321 85.021 -99.200 -91.000 HIS 154 0.900 8.264 27.244 85.117 -99.200 -91.000 PHE 167 1.000 21.511 34.663 75.832 -99.200 -91.000 HIS 186 0.900 14.010 43.519 67.691 -99.200 -91.000 TYR 190 0.840 7.399 29.878 65.732 -99.200 -91.000 TYR 196 0.840 19.932 25.516 86.188 -99.200 -91.000 TYR 217 0.840 29.744 0.253 79.988 -99.200 -91.000 TRP 235 1.040 19.737 0.705 81.930 -99.200 -91.000 TRP6 235 1.020 20.240 -0.246 79.824 -99.200 -91.000 PHE 252 1.000 25.592 6.532 66.524 -99.200 -91.000 PHE 280 1.000 32.953 2.486 80.967 -99.200 -91.000