============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 41 0.900 20.716-177.981 -13.597 -99.200 -91.000 PHE 46 1.000 31.286-166.541 -1.071 -99.200 -91.000 PHE 56 1.000 28.277-171.233 5.504 -99.200 -91.000 TYR 59 0.840 30.853-177.413 6.263 -99.200 -91.000 TYR 67 0.840 21.870-185.656 -0.972 -99.200 -91.000 TYR 73 0.840 17.239-186.799 -7.603 -99.200 -91.000 PHE 83 1.000 24.043-179.098 4.241 -99.200 -91.000 TYR 98 0.840 31.492-171.312 9.358 -99.200 -91.000 TYR 107 0.840 14.871-173.885 -14.368 -99.200 -91.000 TYR 115 0.840 15.026-170.978 -1.583 -99.200 -91.000 TYR 119 0.840 25.161-162.579 11.626 -99.200 -91.000 TYR 128 0.840 12.460-157.379 -5.743 -99.200 -91.000 HIS 131 0.900 22.253-161.469 2.753 -99.200 -91.000 TYR 133 0.840 25.031-150.198 5.353 -99.200 -91.000 PHE 136 1.000 18.891-150.008 4.691 -99.200 -91.000 TYR 137 0.840 22.862-147.150 -1.075 -99.200 -91.000 PHE 139 1.000 15.762-155.139 -1.106 -99.200 -91.000 HIS 144 0.900 8.542-147.473 -10.628 -99.200 -91.000 HIS 145 0.900 11.901-149.223 -12.784 -99.200 -91.000 TYR 146 0.840 10.230-159.303 -9.926 -99.200 -91.000 PHE 174 1.000 29.660-151.363 -6.449 -99.200 -91.000 PHE 193 1.000 25.515-155.710 -15.427 -99.200 -91.000