============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 13 1.000 4.755 21.665 54.768 -99.200 -91.000 PHE 17 1.000 8.186 16.526 55.005 -99.200 -91.000 HIS 19 0.900 -1.336 10.464 54.106 -99.200 -91.000 PHE 21 1.000 8.558 11.191 53.476 -99.200 -91.000 TYR 39 0.840 -0.018 22.800 67.974 -99.200 -91.000 TYR 50 0.840 -6.644 25.645 57.443 -99.200 -91.000 TYR 68 0.840 -4.242 26.732 37.314 -99.200 -91.000 TRP 72 1.040 8.139 18.707 37.518 -99.200 -91.000 TRP6 72 1.020 10.382 18.514 36.808 -99.200 -91.000 TYR 90 0.840 -9.156 23.735 53.538 -99.200 -91.000 PHE 94 1.000 -13.333 24.139 49.749 -99.200 -91.000 TYR 114 0.840 9.491 23.254 57.141 -99.200 -91.000 PHE 122 1.000 6.252 24.931 41.238 -99.200 -91.000 HIS 134 0.900 -9.876 27.161 40.045 -99.200 -91.000 PHE 140 1.000 -10.585 37.564 43.447 -99.200 -91.000