============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 4 0.840 23.257 9.254 29.875 -99.200 -91.000 TYR 32 0.840 39.447 -2.486 53.156 -99.200 -91.000 PHE 44 1.000 27.559 -11.245 55.158 -99.200 -91.000 TYR 63 0.840 31.578 9.494 60.716 -99.200 -91.000 TYR 76 0.840 19.799 -6.477 60.869 -99.200 -91.000 HIS 85 0.900 23.347 -0.218 64.806 -99.200 -91.000 PHE 86 1.000 19.697 -0.186 69.946 -99.200 -91.000 PHE 111 1.000 19.873 -15.803 56.150 -99.200 -91.000 TYR 116 0.840 18.774 -2.586 64.900 -99.200 -91.000 PHE 117 1.000 14.130 -2.733 62.181 -99.200 -91.000 TYR 123 0.840 18.962 -4.062 72.781 -99.200 -91.000 TYR 147 0.840 8.594 -0.687 62.818 -99.200 -91.000 HIS 165 0.900 11.905 -3.627 58.051 -99.200 -91.000 TRP 169 1.040 15.653 -3.888 47.292 -99.200 -91.000 TRP6 169 1.020 16.442 -1.656 47.411 -99.200 -91.000 TYR 198 0.840 17.891 16.076 67.179 -99.200 -91.000 HIS 217 0.900 21.008 -1.840 59.247 -99.200 -91.000