============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 3 1.000 81.931 -23.599 26.561 -99.200 -91.000 TYR 4 0.840 86.440 -16.983 30.671 -99.200 -91.000 PHE 13 1.000 84.587 -17.493 25.514 -99.200 -91.000 PHE 20 1.000 80.489 -12.335 14.619 -99.200 -91.000 TYR 21 0.840 81.295 -7.274 15.607 -99.200 -91.000 TYR 34 0.840 77.253 -6.116 13.578 -99.200 -91.000 PHE 49 1.000 75.169 -12.349 26.207 -99.200 -91.000 TYR 53 0.840 74.966 -18.406 27.655 -99.200 -91.000 TRP 54 1.040 79.575 -19.710 26.310 -99.200 -91.000 TRP6 54 1.020 78.295 -21.703 26.249 -99.200 -91.000 TYR 60 0.840 76.508 -7.558 28.174 -99.200 -91.000 HIS 66 0.900 68.430 -8.901 33.076 -99.200 -91.000 HIS 73 0.900 70.839 -8.440 19.239 -99.200 -91.000 PHE 76 1.000 70.991 -2.267 15.585 -99.200 -91.000 TRP 86 1.040 75.809 -12.475 14.587 -99.200 -91.000 TRP6 86 1.020 76.128 -14.281 16.084 -99.200 -91.000 HIS 91 0.900 78.284 -22.393 12.287 -99.200 -91.000 HIS 106 0.900 84.264 -28.369 26.745 -99.200 -91.000 TYR 113 0.840 74.314 -19.354 23.688 -99.200 -91.000 HIS 119 0.900 67.860 -20.650 13.556 -99.200 -91.000 PHE 126 1.000 60.900 -5.406 5.312 -99.200 -91.000