============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.127 9.149 40.177 -99.200 -91.000 TYR 17 0.840 -1.191 12.368 42.958 -99.200 -91.000 PHE 18 1.000 -4.906 15.505 41.361 -99.200 -91.000 TRP 23 1.040 1.632 13.341 46.272 -99.200 -91.000 TRP6 23 1.020 1.818 11.096 46.964 -99.200 -91.000 TYR 24 0.840 8.148 16.220 51.091 -99.200 -91.000 TYR 28 0.840 16.297 13.570 39.153 -99.200 -91.000 TYR 40 0.840 16.174 20.511 40.081 -99.200 -91.000 TYR 58 0.840 11.395 24.237 46.587 -99.200 -91.000 HIS 59 0.900 10.653 22.202 39.320 -99.200 -91.000 TYR 60 0.840 17.735 24.806 46.716 -99.200 -91.000 PHE 68 1.000 12.163 26.381 38.538 -99.200 -91.000 TYR 69 0.840 8.121 27.954 46.162 -99.200 -91.000 TYR 82 0.840 -5.289 14.601 36.133 -99.200 -91.000 PHE 86 1.000 4.966 26.079 32.979 -99.200 -91.000 TYR 104 0.840 1.542 21.678 26.650 -99.200 -91.000 TYR 105 0.840 2.896 20.398 35.055 -99.200 -91.000 PHE 107 1.000 1.417 15.024 37.897 -99.200 -91.000 TYR 111 0.840 1.499 2.063 43.165 -99.200 -91.000 HIS 120 0.900 5.470 10.811 30.800 -99.200 -91.000 HIS 124 0.900 4.991 19.685 25.556 -99.200 -91.000 TYR 134 0.840 8.831 7.418 32.737 -99.200 -91.000 PHE 160 1.000 14.186 2.953 42.490 -99.200 -91.000 PHE 163 1.000 12.963 5.912 37.948 -99.200 -91.000 TYR 173 0.840 11.959 19.364 49.560 -99.200 -91.000