============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 4 1.040 17.875 10.908 19.151 -99.200 -91.000 TRP6 4 1.020 16.403 12.443 18.123 -99.200 -91.000 PHE 67 1.000 28.080 23.383 -2.961 -99.200 -91.000 TYR 100 0.840 36.003 36.578 17.332 -99.200 -91.000 TYR 101 0.840 35.481 40.280 14.063 -99.200 -91.000 PHE 110 1.000 35.618 49.458 19.769 -99.200 -91.000 TRP 121 1.040 33.892 48.771 27.343 -99.200 -91.000 TRP6 121 1.020 34.801 46.803 28.306 -99.200 -91.000 TYR 143 0.840 31.963 61.874 5.141 -99.200 -91.000 TYR 154 0.840 42.964 51.511 12.729 -99.200 -91.000 PHE 158 1.000 33.154 45.718 15.085 -99.200 -91.000 HIS 166 0.900 8.645 54.850 23.476 -99.200 -91.000 HIS 169 0.900 15.600 65.501 17.190 -99.200 -91.000 TRP 194 1.040 26.291 42.062 12.203 -99.200 -91.000 TRP6 194 1.020 28.453 41.392 12.879 -99.200 -91.000 PHE 210 1.000 16.382 49.057 16.803 -99.200 -91.000 HIS 211 0.900 15.187 43.392 8.150 -99.200 -91.000 PHE 246 1.000 30.918 37.439 16.771 -99.200 -91.000 PHE 259 1.000 24.115 30.203 16.948 -99.200 -91.000 PHE 264 1.000 21.013 26.669 19.671 -99.200 -91.000