T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.93 V 0.06 C Shift Assignments>> CB :: 69.580 CG2 :: 21.817 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> HA :: 3.856 HB :: 4.099 HG2 :: 1.284 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.7 A 0.28 C Shift Assignments>> C :: 174.337 CA :: 55.626 CB :: 33.869 CG :: 31.835 CE :: 17.744 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.625 HB2 :: 1.999 HB3 :: 1.999 HG2 :: 2.362 HG3 :: 2.362 HE :: 2.038 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.29 L 0.13 F 0.07 Y 0.06 K 0.04 C Shift Assignments>> C :: 173.500 CA :: 52.836 CB :: 40.461 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.454 HA :: 4.969 HB2 :: 2.552 HB3 :: 2.552 HD21 :: 7.200 HD22 :: 6.640 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.253 ND2 :: 111.613 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> K101 C Shift Assignments>> C :: 174.817 CA :: 59.787 CB :: 40.754 CG1 :: 28.169 CG2 :: 17.502 CD1 :: 15.334 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.310 HA :: 5.440 HB :: 1.684 HG2 :: 0.864 HG12 :: 1.591 HG13 :: 1.591 HD1 :: 0.877 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.356 Ave N Shift Values>> N :: 121.6(4.72) T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.788 CA :: 60.385 CB :: 72.460 CG2 :: 21.941 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.902 HA :: 4.875 HB :: 4.331 HG2 :: 1.220 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.627 Ave N Shift Values>> N :: 115.7(5.05) S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.8 T 0.19 C Shift Assignments>> C :: 174.770 CA :: 57.798 CB :: 66.514 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.467 HA :: 5.201 HB2 :: 4.059 HB3 :: 3.843 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.502 Ave N Shift Values>> N :: 116.3(3.95) K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.22 M 0.04 C Shift Assignments>> C :: 176.690 CA :: 56.843 CB :: 34.012 CG :: 25.455 CD :: 29.533 CE :: 41.084 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.989 HA :: 4.618 HB2 :: 1.795 HB3 :: 1.961 HG2 :: 1.482 HG3 :: 1.482 HD2 :: 1.722 HD3 :: 1.722 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.409 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 Q 0.22 M 0.19 K 0.16 I 0.03 C Shift Assignments>> C :: 174.407 CA :: 57.277 CB :: 30.452 CG :: 35.096 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.507 HA :: 4.321 HB2 :: 2.337 HB3 :: 2.143 HG2 :: 2.322 HG3 :: 2.477 HE21 :: 7.565 HE22 :: 6.998 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.450 NE2 :: 111.694 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.03 C Shift Assignments>> C :: 174.188 CA :: 54.932 CB :: 35.278 CG :: 30.688 CE :: 17.750 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.567 HA :: 4.698 HB2 :: 2.090 HB3 :: 2.170 HG2 :: 2.586 HG3 :: 2.586 HE :: 2.016 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 114.254 Ave N Shift Values>> N :: 120.1(3.88) E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.26 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.997 CA :: 55.924 CB :: 31.018 CG :: 36.333 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.461 HA :: 4.374 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 2.117 HG3 :: 2.263 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.672 Ave N Shift Values>> N :: 120.68(3.68) I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.01 C Shift Assignments>> C :: 175.662 CA :: 59.609 CB :: 35.605 CG1 :: 26.273 CG2 :: 18.095 CD1 :: 11.204 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.788 HA :: 4.097 HB :: 2.150 HG2 :: 0.836 HG12 :: 1.574 HG13 :: 1.378 HD1 :: 0.671 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.500 Ave N Shift Values>> N :: 121.6(4.72) T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.651 CA :: 59.466 CB :: 68.892 CG2 :: 22.418 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 6.712 HA :: 4.814 HB :: 4.769 HG2 :: 1.297 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.830 Ave N Shift Values>> N :: 115.7(5.05) P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.910 CA :: 66.063 CB :: 32.045 CG :: 28.309 CD :: 50.832 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.246 HB2 :: 1.998 HB3 :: 2.453 HG2 :: 2.265 HG3 :: 2.265 HD2 :: 3.965 HD3 :: 3.965 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.34 I 0.04 V 0.01 C Shift Assignments>> C :: 180.932 CA :: 55.539 CB :: 18.820 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.020 HA :: 4.189 HB :: 1.452 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.285 Ave N Shift Values>> N :: 123.23(3.7) I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.682 CA :: 65.700 CB :: 38.783 CG1 :: 30.858 CG2 :: 17.809 CD1 :: 14.531 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.560 HA :: 3.760 HB :: 1.865 HG2 :: 0.790 HG12 :: 1.776 HG13 :: 1.776 HD1 :: 0.910 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.043 Ave N Shift Values>> N :: 121.6(4.72) R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.25 K 0.12 C Shift Assignments>> C :: 178.469 CA :: 60.886 CB :: 30.244 CG :: 28.801 CD :: 43.463 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.028 HA :: 3.669 HB2 :: 1.844 HB3 :: 1.844 HG2 :: 1.671 HG3 :: 1.462 HD2 :: 3.293 HD3 :: 3.188 HE :: 7.481 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.552 NE :: 84.489 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.32 E 0.16 R 0.08 M 0.04 I 0.03 C Shift Assignments>> C :: 177.434 CA :: 58.461 CB :: 28.753 CG :: 33.875 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.477 HA :: 3.950 HB2 :: 2.205 HB3 :: 2.096 HG2 :: 2.424 HG3 :: 2.424 HE21 :: 7.770 HE22 :: 6.814 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.905 NE2 :: 114.617 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.51 H 0.48 C Shift Assignments>> C :: 177.988 CA :: 60.424 CB :: 30.748 CD2 :: 118.116 CE1 :: 138.809 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.969 HA :: 4.249 HB2 :: 3.223 HB3 :: 3.223 HD2 :: 6.472 HE1 :: 7.936 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.907 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> Y70 C Shift Assignments>> C :: 177.147 CA :: 67.518 CB :: 31.833 CG1 :: 22.659 CG2 :: 23.824 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.156 HA :: 3.260 HB :: 2.148 HG1 :: 0.855 HG2 :: 1.085 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.780 Ave N Shift Values>> N :: 121.02(4.96) A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.24 I 0.07 V 0.01 HN Overlap>> V109 C Shift Assignments>> C :: 180.711 CA :: 56.056 CB :: 18.397 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.272 HA :: 3.910 HB :: 1.479 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.436 Ave N Shift Values>> N :: 123.23(3.7) D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.2 K 0.18 L 0.15 D 0.1 I 0.05 R 0.03 N 0.01 C Shift Assignments>> C :: 179.102 CA :: 57.428 CB :: 40.891 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.531 HA :: 4.329 HB2 :: 2.559 HB3 :: 2.765 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.717 Ave N Shift Values>> N :: 120.73(4.2) R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.35 L 0.08 G 0.02 C Shift Assignments>> C :: 179.696 CA :: 57.514 CB :: 29.457 CG :: 26.699 CD :: 42.467 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.738 HA :: 4.068 HB2 :: 1.760 HB3 :: 1.760 HG2 :: 1.523 HG3 :: 1.439 HD2 :: 3.001 HD3 :: 3.001 HE :: 7.209 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.983 NE :: 83.883 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.17 K 0.01 C Shift Assignments>> C :: 179.214 CA :: 57.594 CB :: 41.657 CG :: 27.160 CD1 :: 26.316 CD2 :: 23.593 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.471 HA :: 3.959 HB2 :: 1.396 HB3 :: 1.767 HG :: 1.738 HD1 :: 0.718 HD2 :: 0.667 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.677 Ave N Shift Values>> N :: 121.98(4.07) A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.02 C Shift Assignments>> C :: 179.881 CA :: 54.812 CB :: 18.361 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.786 HA :: 4.117 HB :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.787 Ave N Shift Values>> N :: 123.23(3.7) K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.34 M 0.03 G 0.01 C Shift Assignments>> C :: 178.147 CA :: 57.890 CB :: 32.462 CG :: 25.364 CD :: 29.147 CE :: 42.237 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.239 HA :: 4.142 HB2 :: 1.876 HB3 :: 1.955 HG2 :: 1.568 HG3 :: 1.568 HD2 :: 1.673 HD3 :: 1.673 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.677 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.16 K 0.02 A 0.01 C Shift Assignments>> C :: 177.961 CA :: 55.691 CB :: 41.308 CG :: 27.779 CD1 :: 26.111 CD2 :: 23.786 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.621 HA :: 4.430 HB2 :: 1.662 HB3 :: 1.940 HG :: 1.800 HD1 :: 0.842 HD2 :: 0.808 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.881 Ave N Shift Values>> N :: 121.98(4.07) E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.18 E 0.17 R 0.14 H 0.12 Q 0.11 K 0.09 I 0.07 M 0.04 V 0.03 C Shift Assignments>> C :: 177.730 CA :: 58.696 CB :: 30.003 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.818 HA :: 4.117 HB2 :: 2.020 HB3 :: 2.079 HG2 :: 2.272 HG3 :: 2.372 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.364 Ave N Shift Values>> N :: 120.68(3.68) K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.57 R 0.34 M 0.06 G 0.01 C Shift Assignments>> C :: 177.300 CA :: 57.963 CB :: 32.005 CG :: 24.533 CD :: 29.319 CE :: 42.208 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.942 HA :: 4.043 HB2 :: 1.456 HB3 :: 1.519 HG2 :: 1.052 HG3 :: 0.892 HD2 :: 1.413 HD3 :: 1.413 HE2 :: 2.717 HE3 :: 2.717 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.92 H 0.07 C Shift Assignments>> C :: 176.769 CA :: 58.003 CB :: 29.783 CD1 :: 127.294 CE3 :: 120.866 CZ2 :: 114.752 CZ3 :: 121.842 CH2 :: 124.655 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.699 HA :: 4.670 HB2 :: 3.193 HB3 :: 3.476 HD1 :: 7.273 HE1 :: 10.450 HE3 :: 7.474 HZ2 :: 7.449 HZ3 :: 6.989 HH2 :: 7.140 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.349 NE1 :: 129.569 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.32 E 0.17 R 0.08 M 0.03 I 0.03 HN Overlap>> Q88 H89 C Shift Assignments>> C :: 176.472 CA :: 57.950 CB :: 28.533 CG :: 33.989 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.942 HA :: 4.007 HB2 :: 2.104 HB3 :: 2.104 HG2 :: 2.716 HG3 :: 2.716 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.710 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.481 CA :: 63.191 CB :: 69.636 CG2 :: 21.905 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.952 HA :: 4.209 HB :: 4.112 HG2 :: 1.147 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.470 Ave N Shift Values>> N :: 115.7(5.05) H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.5 W 0.49 C Shift Assignments>> C :: 173.800 CA :: 56.550 CB :: 30.500 CD2 :: 119.486 CE1 :: 137.782 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.639 HB2 :: 3.181 HB3 :: 3.115 HD2 :: 7.128 HE1 :: 8.251 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 K 0.25 A 0.02 C Shift Assignments>> CA :: 54.367 CB :: 41.708 CD1 :: 26.464 CD2 :: 23.615 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.006 HA :: 4.448 HB2 :: 1.277 HB3 :: 1.871 HG :: 1.810 HD1 :: 0.897 HD2 :: 0.772 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.040 Ave N Shift Values>> N :: 121.98(4.07) I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.096 CA :: 61.378 CB :: 39.004 CG1 :: 27.392 CG2 :: 17.850 CD1 :: 13.389 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.180 HA :: 4.068 HB :: 1.671 HG2 :: 0.847 HG12 :: 1.387 HG13 :: 0.968 HD1 :: 0.681 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.700 Ave N Shift Values>> N :: 121.6(4.72) N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.23 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 172.388 CA :: 53.062 CB :: 38.913 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.782 HA :: 4.794 HB2 :: 2.803 HB3 :: 2.924 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.026 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.824 CA :: 64.110 CB :: 32.443 CG :: 28.145 CD :: 50.457 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.560 HB2 :: 1.743 HB3 :: 1.895 HG2 :: 1.846 HG3 :: 2.128 HD2 :: 3.751 HD3 :: 3.553 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.55 W 0.44 C Shift Assignments>> C :: 174.005 CA :: 54.151 CB :: 31.020 CD2 :: 119.732 CE1 :: 137.210 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.540 HA :: 5.570 HB2 :: 3.326 HB3 :: 3.181 HD2 :: 7.141 HE1 :: 8.268 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.188 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.136 CA :: 59.629 CB :: 40.426 CG1 :: 28.799 CG2 :: 17.499 CD1 :: 13.571 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.927 HA :: 5.069 HB :: 1.797 HG2 :: 0.813 HG12 :: 1.473 HG13 :: 1.153 HD1 :: 0.753 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.163 Ave N Shift Values>> N :: 121.6(4.72) I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.050 CA :: 60.383 CB :: 41.018 CG1 :: 28.031 CG2 :: 18.381 CD1 :: 14.277 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.183 HA :: 4.929 HB :: 1.696 HG2 :: 0.858 HG12 :: 0.833 HG13 :: 1.179 HD1 :: 0.667 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.777 Ave N Shift Values>> N :: 121.6(4.72) L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.3 R 0.02 C Shift Assignments>> C :: 176.081 CA :: 53.457 CB :: 45.407 CG :: 27.804 CD1 :: 25.682 CD2 :: 24.970 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.789 HA :: 5.477 HB2 :: 1.535 HB3 :: 1.656 HG :: 1.656 HD1 :: 0.827 HD2 :: 0.822 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.877 Ave N Shift Values>> N :: 121.98(4.07) S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 172.159 CA :: 57.540 CB :: 65.888 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.607 HA :: 5.131 HB2 :: 3.839 HB3 :: 3.749 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.370 Ave N Shift Values>> N :: 116.3(3.95) K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.35 G 0.03 M 0.01 C Shift Assignments>> C :: 174.826 CA :: 55.707 CB :: 34.915 CG :: 25.088 CD :: 28.914 CE :: 42.547 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.305 HA :: 4.435 HB2 :: 1.451 HB3 :: 1.709 HG2 :: 1.007 HG3 :: 0.757 HD2 :: 1.443 HD3 :: 1.200 HE2 :: 2.762 HE3 :: 2.762 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.511 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.22 K 0.14 Q 0.11 I 0.01 C Shift Assignments>> C :: 175.250 CA :: 54.248 CB :: 30.260 CG :: 35.939 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.485 HA :: 4.767 HB2 :: 1.733 HB3 :: 2.187 HG2 :: 2.089 HG3 :: 2.089 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.385 Ave N Shift Values>> N :: 120.68(3.68) P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.089 CA :: 66.541 CB :: 31.924 CG :: 28.461 CD :: 50.724 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.142 HB2 :: 1.805 HB3 :: 2.341 HG2 :: 1.951 HG3 :: 2.158 HD2 :: 3.770 HD3 :: 3.770 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.32 E 0.19 R 0.06 M 0.04 I 0.01 C Shift Assignments>> C :: 175.587 CA :: 56.200 CB :: 28.610 CG :: 34.263 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.054 HA :: 4.330 HB2 :: 1.927 HB3 :: 2.126 HG2 :: 2.290 HG3 :: 2.290 HE21 :: 7.490 HE22 :: 6.885 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 110.882 NE2 :: 112.436 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 171.343 CA :: 45.794 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.433 HA2 :: 3.751 HA3 :: 4.191 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.621 Ave N Shift Values>> N :: 109.91(4.29) F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.95 G 0.04 C Shift Assignments>> C :: 175.502 CA :: 58.388 CB :: 42.395 CD1 :: 131.979 CD2 :: 131.979 CE1 :: 131.952 CE2 :: 131.952 CZ :: 130.135 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.607 HA :: 5.050 HB2 :: 2.849 HB3 :: 2.829 HD1 :: 7.205 HD2 :: 7.205 HE1 :: 7.504 HE2 :: 7.504 HZ :: 7.404 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.332 Ave N Shift Values>> N :: 120.69(4.18) V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.147 CA :: 61.510 CB :: 34.969 CG1 :: 22.102 CG2 :: 21.552 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.858 HA :: 4.780 HB :: 1.923 HG1 :: 0.876 HG2 :: 0.753 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.015 Ave N Shift Values>> N :: 121.02(4.96) A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.14 M 0.1 C Shift Assignments>> C :: 174.216 CA :: 49.964 CB :: 21.846 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.436 HA :: 5.400 HB :: 1.089 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.862 Ave N Shift Values>> N :: 123.23(3.7) D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.13 R 0.01 C Shift Assignments>> C :: 175.266 CA :: 53.840 CB :: 45.975 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.118 HA :: 5.554 HB2 :: 2.487 HB3 :: 2.726 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.709 Ave N Shift Values>> N :: 120.73(4.2) A51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 P 0.29 K 0.13 R 0.08 H 0.02 Q 0.02 M 0.02 W 0.01 C Shift Assignments>> C :: 176.374 CA :: 51.583 CB :: 25.273(S) Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.746 HA :: 5.518 HB :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.812 Ave N Shift Values>> N :: 123.23(3.7) T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.586 CA :: 61.909 CB :: 71.413 CG2 :: 21.831 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.433 HA :: 5.174 HB :: 3.990 HG2 :: 1.145 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.269 Ave N Shift Values>> N :: 115.7(5.05) I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 G 0.03 C Shift Assignments>> C :: 174.162 CA :: 60.543 CB :: 42.057 CG1 :: 27.297 CG2 :: 18.706 CD1 :: 14.934 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.288 HA :: 4.457 HB :: 1.799 HG2 :: 0.907 HG12 :: 1.513 HG13 :: 0.989 HD1 :: 0.762 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.467 Ave N Shift Values>> N :: 121.6(4.72) N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.28 Y 0.13 F 0.12 L 0.1 K 0.01 I 0.01 C Shift Assignments>> C :: 173.834 CA :: 54.304 CB :: 39.654 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.712 HA :: 4.933 HB2 :: 2.768 HB3 :: 2.768 HD21 :: 7.408 HD22 :: 6.805 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.219 ND2 :: 111.537 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.405 CA :: 60.232 CB :: 70.421 CG2 :: 21.889 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.838 HA :: 5.279 HB :: 4.502 HG2 :: 1.219 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.324 Ave N Shift Values>> N :: 115.7(5.05) P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.564 CA :: 65.005 CB :: 32.366 CG :: 28.316 CD :: 51.328 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.434 HB2 :: 1.812 HB3 :: 2.477 HG2 :: 1.957 HG3 :: 2.051 HD2 :: 3.690 HD3 :: 4.051 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) N57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.29 L 0.13 F 0.06 Y 0.06 K 0.04 C Shift Assignments>> C :: 174.031 CA :: 52.780 CB :: 40.509 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.865 HA :: 4.981 HB2 :: 2.431 HB3 :: 2.998 HD21 :: 7.616 HD22 :: 6.980 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 112.251 ND2 :: 112.539 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.19 R 0.13 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.403 CA :: 44.690 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.461 HA2 :: 3.904 HA3 :: 4.502 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.351 Ave N Shift Values>> N :: 109.91(4.29) V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.638 CA :: 62.636 CB :: 33.573 CG1 :: 21.595 CG2 :: 21.957 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.452 HA :: 4.593 HB :: 1.958 HG1 :: 0.855 HG2 :: 0.972 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.467 Ave N Shift Values>> N :: 121.02(4.96) L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 G 0.33 R 0.09 C Shift Assignments>> C :: 175.280 CA :: 54.030 CB :: 44.293 CG :: 27.201 CD1 :: 26.096 CD2 :: 24.321 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.150 HA :: 4.715 HB2 :: 1.604 HB3 :: 1.399 HG :: 1.622 HD1 :: 0.752 HD2 :: 0.757 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.827 Ave N Shift Values>> N :: 121.98(4.07) V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> L80 C Shift Assignments>> C :: 175.630 CA :: 60.359 CB :: 35.187 CG1 :: 21.600 CG2 :: 20.943 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.263 HA :: 5.098 HB :: 1.990 HG1 :: 0.921 HG2 :: 0.921 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.806 Ave N Shift Values>> N :: 121.02(4.96) A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 K 0.17 M 0.06 P 0.05 R 0.04 A 0.04 H 0.01 C Shift Assignments>> C :: 174.719 CA :: 51.609 CB :: 24.150 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.413 HA :: 4.738 HB :: 1.296 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.287 Ave N Shift Values>> N :: 123.23(3.7) S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 173.749 CA :: 57.408 CB :: 66.357 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.986 HA :: 5.656 HB2 :: 3.646 HB3 :: 3.646 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.283 Ave N Shift Values>> N :: 116.3(3.95) G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.22 R 0.17 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.615 CA :: 44.528 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.431 HA2 :: 3.832 HA3 :: 4.703 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.751 Ave N Shift Values>> N :: 109.91(4.29) K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.39 M 0.04 G 0.03 C Shift Assignments>> C :: 175.299 CA :: 55.454 CB :: 36.288 CG :: 25.018 CD :: 29.932 CE :: 42.418 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.458 HA :: 5.576 HB2 :: 1.788 HB3 :: 1.788 HG2 :: 1.324 HG3 :: 1.324 HD2 :: 1.573 HD3 :: 1.573 HE2 :: 2.828 HE3 :: 2.828 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.847 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) H66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 H 0.42 C Shift Assignments>> C :: 173.667 CA :: 59.657 CB :: 33.191 CD2 :: 118.854 CE1 :: 137.570 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.607 HA :: 4.374 HB2 :: 3.212 HB3 :: 3.073 HD2 :: 7.317 HE1 :: 7.858 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.627 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.47 I 0.42 K 0.05 M 0.03 Q 0.01 C Shift Assignments>> C :: 176.244 CA :: 60.240 CB :: 30.039 CG :: 36.650 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.966 HA :: 4.305 HB2 :: 2.028 HB3 :: 2.028 HG2 :: 2.324 HG3 :: 2.324 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.877 Ave N Shift Values>> N :: 120.68(3.68) D68 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.34 G 0.27 R 0.2 D 0.1 F 0.02 K 0.02 Y 0.01 C Shift Assignments>> C :: 176.246 CA :: 53.464 CB :: 43.963 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 11.740(M) HA :: 5.079 HB2 :: 2.866 HB3 :: 3.146 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.722 Ave N Shift Values>> N :: 120.73(4.2) M69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.89 I 0.09 C Shift Assignments>> C :: 177.330 CA :: 60.305 CB :: 32.629 CG :: 30.596 CE :: 17.179 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.353 HA :: 3.140 HB2 :: 0.303(S) HB3 :: 1.068 HG2 :: 1.508 HG3 :: 1.624 HE :: 1.448 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 127.581 Ave N Shift Values>> N :: 120.1(3.88) Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 HN Overlap>> V19 C Shift Assignments>> C :: 178.650 CA :: 61.880 CB :: 36.250 CD1 :: 131.867 CD2 :: 131.867 CE1 :: 117.984 CE2 :: 117.984 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.110 HA :: 3.820 HB2 :: 2.929 HB3 :: 2.604 HD1 :: 6.598 HD2 :: 6.598 HE1 :: 6.426 HE2 :: 6.426 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.771 Ave N Shift Values>> N :: 120.79(4.69) T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.019 CA :: 67.329 CB :: 68.072 CG2 :: 20.914 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.126 HA :: 3.792 HB :: 3.867 HG2 :: 0.518 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.213 Ave N Shift Values>> N :: 115.7(5.05) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.69 I 0.14 A 0.13 V 0.01 C Shift Assignments>> C :: 179.373 CA :: 56.659 CB :: 17.664 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.263 HA :: 3.712 HB :: 1.468 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.534 Ave N Shift Values>> N :: 123.23(3.7) I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.990 CA :: 65.502 CB :: 38.315 CG1 :: 29.990 CG2 :: 18.263 CD1 :: 13.920 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.625 HA :: 3.382 HB :: 1.993 HG2 :: 0.885 HG12 :: 0.707 HG13 :: 1.828 HD1 :: 0.710 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 116.165 Ave N Shift Values>> N :: 121.6(4.72) N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.21 E 0.16 N 0.09 I 0.08 D 0.06 M 0.02 L 0.02 C Shift Assignments>> C :: 178.236 CA :: 56.718 CB :: 37.969 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.471 HA :: 4.269 HB2 :: 2.894 HB3 :: 2.992 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.539 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.37 K 0.06 M 0.03 Q 0.01 C Shift Assignments>> C :: 178.934 CA :: 59.464 CB :: 29.776 CG :: 36.877 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.680 HA :: 4.156 HB2 :: 2.214 HB3 :: 2.214 HG2 :: 2.440 HG3 :: 2.440 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.457 Ave N Shift Values>> N :: 120.68(3.68) L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.18 K 0.03 C Shift Assignments>> C :: 177.895 CA :: 58.880 CB :: 41.055 CG :: 27.711 CD1 :: 24.031 CD2 :: 26.012 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.879 HA :: 3.854 HB2 :: 1.616 HB3 :: 2.365 HG :: 1.309 HD1 :: 0.865 HD2 :: 0.744 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.030 Ave N Shift Values>> N :: 121.98(4.07) I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.724 CA :: 64.440 CB :: 36.169 CG1 :: 29.026 CG2 :: 18.389 CD1 :: 11.470 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.198 HA :: 3.527 HB :: 2.065 HG2 :: 0.899 HG12 :: 1.462 HG13 :: 1.462 HD1 :: 0.647 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.047 Ave N Shift Values>> N :: 121.6(4.72) N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.24 E 0.1 N 0.1 D 0.09 I 0.07 L 0.03 M 0.01 C Shift Assignments>> C :: 178.633 CA :: 56.590 CB :: 38.383 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.363 HA :: 4.504 HB2 :: 2.861 HB3 :: 3.033 HD21 :: 7.585 HD22 :: 6.824 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.344 ND2 :: 111.390 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.24 G 0.08 M 0.01 C Shift Assignments>> C :: 179.984 CA :: 60.339 CB :: 33.191 CG :: 26.611 CD :: 30.104 CE :: 42.958 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.133 HA :: 4.047 HB2 :: 2.094 HB3 :: 1.938 HG2 :: 1.833 HG3 :: 1.569 HE2 :: 3.154 HE3 :: 3.154 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.431 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.08 G 0.03 HN Overlap>> V61 C Shift Assignments>> C :: 178.452 CA :: 58.359 CB :: 42.394 CG :: 26.167 CD1 :: 25.682 CD2 :: 23.829 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.343 HA :: 3.884 HB2 :: 2.025 HB3 :: 1.189 HG :: 1.760 HD1 :: 0.632 HD2 :: 0.621 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.738 Ave N Shift Values>> N :: 121.98(4.07) E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 E 0.38 K 0.03 M 0.02 C Shift Assignments>> C :: 178.426 CA :: 60.641 CB :: 29.852 CG :: 36.951 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.633 HA :: 3.584 HB2 :: 2.225 HB3 :: 2.119 HG2 :: 2.148 HG3 :: 2.323 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.485 Ave N Shift Values>> N :: 120.68(3.68) R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.62 G 0.31 K 0.06 C Shift Assignments>> C :: 179.688 CA :: 59.645 CB :: 30.537 CG :: 28.013 CD :: 44.023 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.725 HA :: 4.070 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 1.892 HG3 :: 1.727 HD2 :: 3.270 HD3 :: 3.270 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.614 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 Q 0.23 K 0.21 M 0.09 I 0.08 R 0.01 C Shift Assignments>> C :: 178.954 CA :: 59.099 CB :: 29.800 CG :: 34.818 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.909 HA :: 4.073 HB2 :: 2.140 HB3 :: 2.140 HG2 :: 2.435 HG3 :: 2.582 HE21 :: 7.045 HE22 :: 7.045 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.399 NE2 :: 109.047 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.07 K 0.01 C Shift Assignments>> C :: 178.918 CA :: 58.069 CB :: 41.043 CG :: 27.063 CD1 :: 25.724 CD2 :: 24.483 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.425 HA :: 3.810 HB2 :: 1.380 HB3 :: 1.380 HG :: 1.522 HD1 :: 0.664 HD2 :: 0.722 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.230 Ave N Shift Values>> N :: 121.98(4.07) N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.24 D 0.16 N 0.13 L 0.06 I 0.05 E 0.04 C Shift Assignments>> C :: 177.524 CA :: 56.125 CB :: 39.004 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.966 HA :: 4.408 HB2 :: 2.784 HB3 :: 2.784 HD21 :: 7.490 HD22 :: 6.962 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.367 ND2 :: 112.422 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.38 M 0.03 G 0.02 C Shift Assignments>> C :: 178.659 CA :: 58.761 CB :: 32.780 CG :: 25.383 CD :: 29.701 CE :: 42.393 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.570 HA :: 4.153 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 1.610 HG3 :: 1.475 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.168 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.15 G 0.03 C Shift Assignments>> C :: 178.443 CA :: 56.939 CB :: 42.529 CG :: 26.810 CD1 :: 25.585 CD2 :: 23.675 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.816 HA :: 4.149 HB2 :: 1.584 HB3 :: 1.809 HG :: 1.782 HD1 :: 0.851 HD2 :: 0.852 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.596 Ave N Shift Values>> N :: 121.98(4.07) Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 E 0.22 M 0.1 R 0.04 I 0.01 HN Overlap>> Q30 C Shift Assignments>> C :: 176.466 CA :: 56.958 CB :: 29.466 CG :: 34.187 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.854 HA :: 4.200 HB2 :: 2.080 HB3 :: 2.080 HG2 :: 2.367 HG3 :: 2.367 HE21 :: 7.367 HE22 :: 6.822 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.647 NE2 :: 111.419 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 HN Overlap>> Q30 C Shift Assignments>> C :: 175.051 CA :: 56.211 CB :: 29.250 CD2 :: 120.440 CE1 :: 136.922 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.025 HA :: 4.664 HB2 :: 3.178 HB3 :: 3.310 HD2 :: 7.312 HE1 :: 8.433 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.764 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.36 M 0.04 G 0.02 C Shift Assignments>> C :: 177.404 CA :: 57.476 CB :: 33.147 CG :: 25.108 CD :: 29.629 CE :: 42.429 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.141 HA :: 4.283 HB2 :: 1.858 HB3 :: 1.858 HG2 :: 1.464 HG3 :: 1.464 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 3.002 HE3 :: 3.002 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.073 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 174.488 CA :: 45.805 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.446 HA2 :: 3.969 HA3 :: 3.969 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.960 Ave N Shift Values>> N :: 109.91(4.29) E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.2 I 0.07 K 0.07 Q 0.04 C Shift Assignments>> C :: 176.668 CA :: 56.784 CB :: 30.782 CG :: 36.484 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.113 HA :: 4.270 HB2 :: 1.983 HB3 :: 2.080 HG2 :: 2.299 HG3 :: 2.299 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.709 Ave N Shift Values>> N :: 120.68(3.68) A93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 L 0.01 C Shift Assignments>> C :: 177.997 CA :: 53.065 CB :: 19.387 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.311 HA :: 4.294 HB :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.995 Ave N Shift Values>> N :: 123.23(3.7) R94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.17 G 0.15 C Shift Assignments>> C :: 176.569 CA :: 56.510 CB :: 31.054 CG :: 27.453 CD :: 43.614 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.236 HA :: 4.294 HB2 :: 1.781 HB3 :: 1.855 HG2 :: 1.637 HG3 :: 1.637 HD2 :: 3.206 HD3 :: 3.206 HE :: 7.237 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.209 NE :: 84.918 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.17 G 0.15 C Shift Assignments>> C :: 176.183 CA :: 56.437 CB :: 31.195 CG :: 27.460 CD :: 43.625 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.273 HA :: 4.327 HB2 :: 1.771 HB3 :: 1.857 HG2 :: 1.644 HG3 :: 1.644 HD2 :: 3.205 HD3 :: 3.205 HE :: 7.237 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.310 NE :: 84.918 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.21 L 0.01 C Shift Assignments>> C :: 177.640 CA :: 52.703 CB :: 19.708 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.289 HA :: 4.310 HB :: 1.403 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.227 Ave N Shift Values>> N :: 123.23(3.7) A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 L 0.01 C Shift Assignments>> C :: 178.075 CA :: 52.978 CB :: 19.591 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.286 HA :: 4.360 HB :: 1.427 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.363 Ave N Shift Values>> N :: 123.23(3.7) T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.645 CA :: 61.981 CB :: 70.053 CG2 :: 21.917 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.031 HA :: 4.372 HB :: 4.271 HG2 :: 1.221 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.229 Ave N Shift Values>> N :: 115.7(5.05) S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.607 CA :: 58.466 CB :: 64.247 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.219 HA :: 4.517 HB2 :: 3.880 HB3 :: 3.880 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.781 Ave N Shift Values>> N :: 116.3(3.95) V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.232 CA :: 62.784 CB :: 32.880 CG1 :: 21.542 CG2 :: 20.795 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.072 HA :: 4.089 HB :: 2.082 HG1 :: 0.922 HG2 :: 0.922 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.644 Ave N Shift Values>> N :: 121.02(4.96) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 M 0.19 HN Overlap>> I4 C Shift Assignments>> C :: 176.297 CA :: 56.693 CB :: 33.270 CG :: 24.969 CD :: 30.665 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.262 HA :: 4.269 HB2 :: 1.787 HB3 :: 1.787 HG2 :: 1.365 HG3 :: 1.365 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.331 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.25 K 0.18 R 0.08 F 0.08 Y 0.06 N 0.05 HN Overlap>> V109 C Shift Assignments>> C :: 176.122 CA :: 54.610 CB :: 41.722 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.156 HA :: 4.564 HB2 :: 2.655 HB3 :: 2.732 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.388 Ave N Shift Values>> N :: 120.73(4.2) A103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.27 L 0.01 C Shift Assignments>> C :: 177.527 CA :: 53.284 CB :: 19.524 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.192 HA :: 4.224 HB :: 1.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.123 Ave N Shift Values>> N :: 123.23(3.7) N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.27 Y 0.1 F 0.09 L 0.07 C Shift Assignments>> C :: 174.804 CA :: 53.561 CB :: 39.273 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.349 HA :: 4.650 HB2 :: 2.710 HB3 :: 2.710 HD21 :: 6.854 HD22 :: 7.596 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.569 ND2 :: 113.336 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.264 CA :: 58.261 CB :: 39.965 CD1 :: 132.047 CD2 :: 132.047 CE1 :: 131.524 CE2 :: 131.524 CZ :: 129.914 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.949 HA :: 4.598 HB2 :: 3.091 HB3 :: 3.091 HD1 :: 7.219 HD2 :: 7.219 HE1 :: 7.325 HE2 :: 7.325 HZ :: 7.282 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.680 Ave N Shift Values>> N :: 120.69(4.18) V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.385 CA :: 62.262 CB :: 33.444 CG1 :: 21.439 CG2 :: 20.971 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.896 HA :: 4.040 HB :: 1.981 HG1 :: 0.879 HG2 :: 0.879 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.113 Ave N Shift Values>> N :: 121.02(4.96) E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.21 K 0.08 I 0.06 Q 0.05 C Shift Assignments>> C :: 176.135 CA :: 56.668 CB :: 30.750 CG :: 36.345 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.290 HA :: 4.226 HB2 :: 1.921 HB3 :: 2.041 HG2 :: 2.285 HG3 :: 2.285 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.642 Ave N Shift Values>> N :: 120.68(3.68) E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.2 K 0.09 Q 0.06 I 0.06 C Shift Assignments>> C :: 176.177 CA :: 56.536 CB :: 30.667 CG :: 36.281 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.384 HA :: 4.336 HB2 :: 2.034 HB3 :: 1.927 HG2 :: 2.267 HG3 :: 2.267 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.756 Ave N Shift Values>> N :: 120.68(3.68) V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> A20 D102 C Shift Assignments>> C :: 175.989 CA :: 62.278 CB :: 33.370 CG1 :: 21.584 CG2 :: 20.818 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.176 HA :: 4.151 HB :: 2.057 HG1 :: 0.914 HG2 :: 0.914 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.475 Ave N Shift Values>> N :: 121.02(4.96) E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.21 K 0.08 I 0.06 Q 0.05 C Shift Assignments>> C :: 176.195 CA :: 56.567 CB :: 30.750 CG :: 36.345 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.461 HA :: 4.365 HB2 :: 2.052 HB3 :: 1.928 HG2 :: 2.282 HG3 :: 2.282 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.081 Ave N Shift Values>> N :: 120.68(3.68) E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.23 K 0.07 I 0.06 Q 0.05 C Shift Assignments>> C :: 175.521 CA :: 56.718 CB :: 30.965 CG :: 36.320 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.391 HA :: 4.328 HB2 :: 2.078 HB3 :: 1.932 HG2 :: 2.289 HG3 :: 2.289 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.972 Ave N Shift Values>> N :: 120.68(3.68) E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.17 R 0.16 E 0.15 H 0.12 K 0.1 M 0.1 Q 0.08 V 0.05 I 0.03 C Shift Assignments>> C :: 181.097 CA :: 58.274 CB :: 31.096 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.037 HA :: 4.127 HB2 :: 2.059 HB3 :: 1.913 HG2 :: 2.250 HG3 :: 2.250 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.263 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 109 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 112 #Suspicious: 0 C Shift Results: #Consistent: 498 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 672 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 N Shift Results: #Consistent: 120 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: A51 CB = 25.273(S), Expected = 18.90, Std = 1.8500, ChiSquare = 5.7134e-04 D68 H = 11.740(M), Expected = 8.33, Std = 0.5700, ChiSquare = 2.1980e-09 M69 HB2 = 0.303(S), Expected = 2.03, Std = 0.3800, ChiSquare = 5.5004e-06