============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 4 0.840 54.045 -1.204 28.029 -99.200 -91.000 TYR 8 0.840 53.141 3.817 22.636 -99.200 -91.000 HIS 9 0.900 53.416 1.495 17.977 -99.200 -91.000 TYR 18 0.840 41.215 14.175 23.097 -99.200 -91.000 PHE 33 1.000 36.497 10.501 24.192 -99.200 -91.000 PHE 40 1.000 32.773 14.555 35.881 -99.200 -91.000 PHE 57 1.000 31.930 13.137 21.792 -99.200 -91.000 PHE 64 1.000 38.111 23.382 21.771 -99.200 -91.000 HIS 65 0.900 36.502 29.488 16.326 -99.200 -91.000 PHE 96 1.000 40.339 27.299 25.505 -99.200 -91.000 PHE 98 1.000 42.238 22.416 26.700 -99.200 -91.000 PHE 101 1.000 47.078 13.584 34.083 -99.200 -91.000 PHE 102 1.000 42.563 11.242 26.917 -99.200 -91.000 TRP 111 1.040 43.882 -1.124 24.054 -99.200 -91.000 TRP6 111 1.020 44.059 -1.257 26.421 -99.200 -91.000 TYR 118 0.840 38.821 19.927 31.198 -99.200 -91.000 HIS 119 0.900 45.536 22.901 35.266 -99.200 -91.000 HIS 121 0.900 49.081 23.461 31.507 -99.200 -91.000