============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. HIS 2 0.900 8.072 29.783 44.277 -99.200 -91.000 PHE 5 1.000 21.422 29.668 45.287 -99.200 -91.000 TRP 15 1.040 22.511 35.174 45.526 -99.200 -91.000 TRP6 15 1.020 21.764 34.201 47.563 -99.200 -91.000 TYR 49 0.840 23.930 18.197 43.273 -99.200 -91.000 PHE 56 1.000 25.837 35.138 50.479 -99.200 -91.000 TRP 58 1.040 27.577 40.590 56.583 -99.200 -91.000 TRP6 58 1.020 26.794 38.404 56.026 -99.200 -91.000 TYR 68 0.840 10.031 37.241 46.317 -99.200 -91.000 PHE 78 1.000 4.658 28.090 49.812 -99.200 -91.000 TYR 82 0.840 7.149 25.591 59.017 -99.200 -91.000 PHE 114 1.000 22.821 35.051 61.963 -99.200 -91.000 PHE 117 1.000 20.116 31.105 63.842 -99.200 -91.000 TRP 126 1.040 27.128 22.884 54.706 -99.200 -91.000 TRP6 126 1.020 26.228 24.791 53.601 -99.200 -91.000 HIS 127 0.900 23.801 22.398 62.241 -99.200 -91.000 HIS 134 0.900 2.148 34.419 58.595 -99.200 -91.000