============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 2 1.000 31.412 1.509 -59.397 -99.200 -91.000 PHE 4 1.000 26.057 -3.804 -56.384 -99.200 -91.000 PHE 7 1.000 26.550 1.476 -48.852 -99.200 -91.000 PHE 9 1.000 30.604 0.298 -54.424 -99.200 -91.000 HIS 36 0.900 34.075 -5.282 -62.921 -99.200 -91.000 TYR 39 0.840 44.387 -4.351 -53.910 -99.200 -91.000 PHE 42 1.000 36.119 -0.496 -56.199 -99.200 -91.000 PHE 81 1.000 32.080 -3.506 -56.106 -99.200 -91.000 PHE 96 1.000 14.512 -11.194 -54.653 -99.200 -91.000 HIS 105 0.900 21.646 -3.900 -59.328 -99.200 -91.000 HIS 110 0.900 18.701 -15.288 -51.505 -99.200 -91.000 PHE 111 1.000 23.235 -13.925 -50.408 -99.200 -91.000 PHE 119 1.000 26.043 -10.616 -42.333 -99.200 -91.000 TRP 122 1.040 32.811 -13.431 -45.303 -99.200 -91.000 TRP6 122 1.020 32.445 -12.868 -47.574 -99.200 -91.000 HIS 126 0.900 43.453 -14.119 -32.648 -99.200 -91.000