============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 13 1.000 12.431 21.796 112.111 -99.200 -91.000 TRP 19 1.040 3.830 18.717 99.205 -99.200 -91.000 TRP6 19 1.020 2.445 20.415 98.324 -99.200 -91.000 TYR 23 0.840 9.155 26.218 111.411 -99.200 -91.000 TYR 28 0.840 16.924 28.545 112.282 -99.200 -91.000 PHE 30 1.000 19.345 35.522 113.359 -99.200 -91.000 PHE 35 1.000 20.774 42.287 119.697 -99.200 -91.000 PHE 36 1.000 16.758 52.564 120.209 -99.200 -91.000 TYR 40 0.840 9.727 50.031 130.244 -99.200 -91.000 PHE 63 1.000 9.305 48.348 123.530 -99.200 -91.000 PHE 65 1.000 11.441 49.586 118.265 -99.200 -91.000 PHE 73 1.000 13.958 31.488 111.362 -99.200 -91.000 TYR 76 0.840 13.673 38.053 111.003 -99.200 -91.000 TYR 87 0.840 13.880 27.702 135.901 -99.200 -91.000 PHE 94 1.000 9.317 34.499 130.806 -99.200 -91.000 PHE 98 1.000 4.226 42.960 119.684 -99.200 -91.000 HIS 102 0.900 3.586 32.616 109.379 -99.200 -91.000 TRP 112 1.040 14.832 28.239 119.643 -99.200 -91.000 TRP6 112 1.020 14.421 28.874 117.415 -99.200 -91.000 PHE 114 1.000 12.743 33.370 120.647 -99.200 -91.000 PHE 123 1.000 12.824 55.441 110.929 -99.200 -91.000 TYR 135 0.840 -1.123 44.095 116.771 -99.200 -91.000 TYR 146 0.840 24.254 56.909 114.153 -99.200 -91.000 HIS 148 0.900 24.247 61.948 121.235 -99.200 -91.000 PHE 165 1.000 16.505 30.813 131.774 -99.200 -91.000 TYR 186 0.840 23.021 28.430 127.786 -99.200 -91.000 TRP 196 1.040 28.745 53.191 118.979 -99.200 -91.000 TRP6 196 1.020 28.186 51.416 117.545 -99.200 -91.000 HIS 205 0.900 0.921 56.281 122.031 -99.200 -91.000 HIS 207 0.900 -4.098 46.731 118.970 -99.200 -91.000 TYR 216 0.840 3.151 51.542 135.890 -99.200 -91.000 HIS 225 0.900 22.860 51.560 117.227 -99.200 -91.000 PHE 226 1.000 23.538 45.147 122.005 -99.200 -91.000 TYR 234 0.840 17.403 22.941 116.090 -99.200 -91.000 TYR 241 0.840 6.101 25.483 134.198 -99.200 -91.000