============================================================================= 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 6 1.000 11.015 21.204 -3.250 -99.200 -91.000 TYR 16 0.840 10.354 24.254 1.323 -99.200 -91.000 PHE 19 1.000 15.417 22.551 -1.839 -99.200 -91.000 TYR 35 0.840 25.886 34.027 20.920 -99.200 -91.000 TYR 49 0.840 30.611 29.611 -7.989 -99.200 -91.000 TYR 72 0.840 23.554 38.459 -2.411 -99.200 -91.000 TYR 76 0.840 16.664 31.272 -15.400 -99.200 -91.000 TYR 80 0.840 15.411 27.461 -26.943 -99.200 -91.000 TYR 86 0.840 25.684 30.466 -21.085 -99.200 -91.000 HIS 87 0.900 17.738 31.426 -19.239 -99.200 -91.000 PHE 89 1.000 19.507 37.632 -11.330 -99.200 -91.000 TYR 118 0.840 15.488 41.093 -15.040 -99.200 -91.000 TYR 122 0.840 14.354 40.233 -2.544 -99.200 -91.000 PHE 157 1.000 12.012 33.342 -20.516 -99.200 -91.000 PHE 165 1.000 12.109 30.433 -11.959 -99.200 -91.000 PHE 179 1.000 16.436 35.402 7.427 -99.200 -91.000 TYR 181 0.840 8.576 34.181 10.240 -99.200 -91.000 PHE 190 1.000 4.803 21.971 0.781 -99.200 -91.000 PHE 194 1.000 3.782 31.774 1.635 -99.200 -91.000 TRP 207 1.040 21.081 36.037 5.967 -99.200 -91.000 TRP6 207 1.020 22.777 35.856 4.359 -99.200 -91.000 HIS 215 0.900 31.477 37.771 14.157 -99.200 -91.000 TRP 236 1.040 11.270 40.757 17.272 -99.200 -91.000 TRP6 236 1.020 12.053 39.023 15.896 -99.200 -91.000 TYR 253 0.840 33.563 34.931 6.128 -99.200 -91.000