L1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> K 0.22 L 0.22 D 0.17 F 0.13 Y 0.1 R 0.08 N 0.02 I 0.01 C Shift Assignments>> C :: 177.7340 CA :: 55.9760 CB :: 41.5330 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) K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.27 M 0.06 HN Overlap>> R60 C Shift Assignments>> CA :: 57.55 CB :: 33.10 CG :: 24.84 CD :: 29.74 CE :: 41.79 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 :: 8.0000 HA :: 4.076 HB2 :: 1.749 HG2 :: 1.319 HD2 :: 1.745 HE2 :: 2.927 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 :: 119.4630 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> CA :: 63.9380 CB :: 32.0190 CG1 :: 21.38 CG2 :: 21.296 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>> HA :: 3.761 HB :: 1.827 HG1 :: 0.684 HG2 :: 0.635 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) W5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.77 H 0.22 C Shift Assignments>> CA :: 58.22 CB :: 29.659 CD1 :: 126.8 CE3 :: 122.07 CZ2 :: 114.064 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 :: 7.7530 HA :: 4.466 HB2 :: 3.784 HD1 :: 7.128 HE1 :: 10.046 HE3 :: 7.80 HZ2 :: 7.299 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 :: 119.3700 NE1 :: 128.119 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.53 K 0.16 M 0.1 Q 0.09 I 0.08 C Shift Assignments>> CA :: 56.8930 CB :: 29.7670 CG :: 36.10 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 :: 7.9030 HA :: 4.202 HB2 :: 2.014 HB3 :: 1.881 HG2 :: 2.161 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) L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.84 R 0.09 G 0.02 A 0.02 C Shift Assignments>> C :: 177.2190 CA :: 55.599 CB :: 42.31 CG :: 26.72 CD1 :: 25.20 CD2 :: 23.40 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 :: 7.9150 HA :: 4.236 HB2 :: 1.628 HB3 :: 1.494 HG :: 1.645 HD1 :: 0.746 HD2 :: 0.746 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 :: 120.7610 Ave N Shift Values>> N :: 121.98(4.07) D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.22 K 0.16 F 0.1 Y 0.08 N 0.07 R 0.04 HN Overlap>> E61 C Shift Assignments>> C :: 176.8290 CA :: 54.7400 CB :: 41.2800 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 :: 8.2140 HA :: 4.569 HB2 :: 2.690 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 :: 119.2700 Ave N Shift Values>> N :: 120.73(4.2) G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 174.1950 CA :: 45.5800 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.1470 HA2 :: 3.878 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.605 Ave N Shift Values>> N :: 109.91(4.29) L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.12 A 0.03 G 0.02 C Shift Assignments>> C :: 176.8410 CA :: 54.909 CB :: 42.341 CG :: 27.089 CD1 :: 25.32 CD2 :: 23.34 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 :: 7.9580 HA :: 4.331 HB2 :: 1.55 HG :: 1.506 HD1 :: 0.869 HD2 :: 0.789 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 :: 119.9830 Ave N Shift Values>> N :: 121.98(4.07) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.23 N 0.15 K 0.08 R 0.06 F 0.04 Y 0.03 G 0.01 HN Overlap>> E98 C Shift Assignments>> CA :: 51.6500 CB :: 41.91 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 :: 8.1890 HA :: 4.92 HB2 :: 2.826 HB3 :: 2.640 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 :: 121.3760 Ave N Shift Values>> N :: 120.73(4.2) P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.4450 CA :: 64.221 CB :: 32.26 CG :: 27.16 CD :: 51.18 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 :: 4.518 HB2 :: 2.34 HB3 :: 2.013 HG2 :: 2.028 HD2 :: 3.933 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) N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.21 Y 0.14 F 0.12 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 175.5410 CA :: 54.18 CB :: 38.74 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 :: 8.5420 HA :: 4.700 HB2 :: 2.846 HD21 :: 7.873 HD22 :: 6.976 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 :: 115.7010 ND2 :: 114.41 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.66 K 0.24 G 0.09 HN Overlap>> R68 C Shift Assignments>> CA :: 56.3570 CB :: 31.3560 CG :: 27.105 CD :: 43.232 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 :: 7.7540 HA :: 4.304 HB2 :: 1.753 HG2 :: 1.497 HD3 :: 3.214 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 :: 118.8700 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.3 Y 0.27 L 0.1 K 0.09 D 0.09 I 0.08 N 0.01 R 0.01 C Shift Assignments>> CA :: 57.7980 CB :: 40.3260 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 :: 7.77 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) N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.25 L 0.04 F 0.03 Y 0.03 C Shift Assignments>> CA :: 50.37 CB :: 39.463 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 :: 8.1658 HA :: 5.04 HB2 :: 3.069 HB3 :: 2.791 HD21 :: 7.718 HD22 :: 6.991 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 :: 123.5323 ND2 :: 113.06 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.6470 CA :: 65.376 CB :: 32.73 CG :: 27.44 CD :: 51.05 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 :: 4.210 HB2 :: 2.302 HB3 :: 1.981 HG2 :: 2.020 HD2 :: 3.876 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) K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.37 G 0.01 M 0.01 C Shift Assignments>> C :: 177.8990 CA :: 60.4090 CB :: 32.3620 CG :: 25.99 CD :: 29.45 CE :: 42.002 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 :: 7.9770 HA :: 4.084 HB2 :: 1.996 HB3 :: 1.912 HG2 :: 1.501 HD2 :: 1.761 HE2 :: 2.971 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 :: 116.8150 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.1250 CA :: 65.9950 CB :: 68.3960 CG2 :: 22.44 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 :: 7.5520 HA :: 3.92 HB :: 4.254 HG2 :: 1.280 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 :: 113.2420 Ave N Shift Values>> N :: 115.7(5.05) F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> CA :: 61.8510 CB :: 40.0930 CD1 :: 132.21 CD2 :: 132.21 CE1 :: 131.276 CE2 :: 131.276 CZ :: 130.22 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 :: 8.0090 HA :: 4.113 HB2 :: 3.195 HD1 :: 7.191 HD2 :: 7.191 HE1 :: 7.116 HE2 :: 7.116 HZ :: 7.014 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 :: 121.9110 Ave N Shift Values>> N :: 120.69(4.18) F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> C :: 176.7230 CA :: 62.5860 CB :: 39.6170 CD1 :: 131.6 CD2 :: 131.6 CE1 :: 130.91 CE2 :: 130.91 CZ :: 130.13 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>> HA :: 3.3668 HB2 :: 3.363 HB3 :: 2.798 HD1 :: 6.687 HD2 :: 6.687 HE1 :: 6.939 HE2 :: 6.939 HZ :: 7.204 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) I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.8740 CA :: 64.8400 CB :: 38.5190 CG1 :: 29.25 CG2 :: 16.91 CD1 :: 13.75 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 :: 8.1150 HA :: 3.780 HB :: 1.944 HG2 :: 0.993 HG12 :: 1.947 HG13 :: 1.414 HD1 :: 0.927 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 :: 116.6680 Ave N Shift Values>> N :: 121.6(4.72) L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.03 G 0.01 C Shift Assignments>> C :: 177.9870 CA :: 56.75 CB :: 41.784 CG :: 26.38 CD1 :: 24.344 CD2 :: 24.096 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 :: 7.7070 HA :: 3.848 HB2 :: 1.436 HB3 :: 1.151 HG :: 1.206 HD1 :: 0.735 HD2 :: 0.666 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 :: 118.2200 Ave N Shift Values>> N :: 121.98(4.07) H25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.5 H 0.49 C Shift Assignments>> C :: 173.7770 CA :: 57.7670 CB :: 29.9040 CD2 :: 119.816 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 :: 6.8640 HA :: 4.214 HB2 :: 2.072 HD2 :: 7.095 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 :: 113.1480 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.14 Y 0.06 F 0.04 E 0.01 L 0.01 M 0.01 C Shift Assignments>> C :: 177.4550 CA :: 52.1360 CB :: 38.1 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 :: 7.3660 HA :: 4.392 HB2 :: 2.794 HB3 :: 1.879 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 :: 122.2690 Ave N Shift Values>> N :: 120.73(4.2) I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.4630 CA :: 63.78 CB :: 37.2740 CG1 :: 27.808 CG2 :: 17.39 CD1 :: 11.67 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 :: 7.2070 HA :: 3.68 HB :: 1.987 HG2 :: 0.933 HG12 :: 1.57 HG13 :: 1.381 HD1 :: 0.862 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 :: 122.8570 Ave N Shift Values>> N :: 121.6(4.72) N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.06 Y 0.05 M 0.03 E 0.03 F 0.03 C Shift Assignments>> C :: 174.8020 CA :: 51.5140 CB :: 37.1580 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 :: 7.8150 HA :: 4.784 HB2 :: 3.287 HB3 :: 2.766 HD21 :: 7.783 HD22 :: 6.709 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 :: 114.3420 ND2 :: 112.36 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.0370 CA :: 58.9840 CB :: 61.7130 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.8160 HA :: 4.020 HB2 :: 4.094 HB3 :: 3.850 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 :: 111.9930 Ave N Shift Values>> N :: 116.3(3.95) D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.28 L 0.14 F 0.06 Y 0.05 K 0.04 HN Overlap>> E71 V73 C Shift Assignments>> C :: 178.0890 CA :: 52.6870 CB :: 40.6 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 :: 8.2240 HA :: 4.710 HB2 :: 3.096 HB3 :: 2.402 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 :: 118.1340 Ave N Shift Values>> N :: 120.73(4.2) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.7380 CA :: 45.5650 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.5890 HA2 :: 4.374 HA3 :: 3.694 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.5070 Ave N Shift Values>> N :: 109.91(4.29) V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 I 0.16 A 0.05 C Shift Assignments>> C :: 174.5720 CA :: 58.93 CB :: 36.28 CG1 :: 22.775 CG2 :: 20.307 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 :: 7.9320 HA :: 5.240 HB :: 1.852 HG1 :: 0.882 HG2 :: 0.845 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 :: 114.1340 Ave N Shift Values>> N :: 121.02(4.96) L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 A 0.25 G 0.02 R 0.01 C Shift Assignments>> C :: 176.0850 CA :: 52.698 CB :: 42.0650 CG :: 25.54 CD1 :: 25.33 CD2 :: 22.19 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 :: 9.4830 HA :: 5.382 HB2 :: 1.818 HB3 :: 0.928 HG :: 1.057 HD1 :: 0.244 HD2 :: 0.060 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 :: 124.9480 Ave N Shift Values>> N :: 121.98(4.07) D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.16 K 0.08 R 0.05 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> C :: 175.8680 CA :: 51.48 CB :: 41.88 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 :: 8.6190 HA :: 4.959 HB2 :: 3.339 HB3 :: 2.502 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 :: 123.5900 Ave N Shift Values>> N :: 120.73(4.2) E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 E 0.34 M 0.02 K 0.01 C Shift Assignments>> C :: 178.7580 CA :: 60.9100 CB :: 30.2700 CG :: 37.23 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 :: 8.6510 HA :: 3.952 HB2 :: 2.199 HB3 :: 2.148 HG2 :: 2.543 HG3 :: 2.329 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 :: 115.5820 Ave N Shift Values>> N :: 120.68(3.68) Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 Q 0.29 E 0.21 I 0.1 R 0.06 M 0.01 P 0.01 C Shift Assignments>> C :: 179.9140 CA :: 59.25 CB :: 28.1100 CG :: 34.44 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 :: 8.0310 HA :: 4.133 HB2 :: 2.26 HB3 :: 2.171 HG2 :: 2.428 HE21 :: 7.601 HE22 :: 6.813 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 :: 117.9620 NE2 :: 112.20 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.27 K 0.08 M 0.05 Q 0.02 C Shift Assignments>> C :: 180.9700 CA :: 58.6700 CB :: 29.8280 CG :: 36.792 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 :: 8.6930 HA :: 4.082 HB2 :: 2.38 HB3 :: 1.953 HG2 :: 2.849 HG3 :: 2.22 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 :: 122.6510 Ave N Shift Values>> N :: 120.68(3.68) L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.81 R 0.15 K 0.01 G 0.01 C Shift Assignments>> C :: 176.9350 CA :: 57.57 CB :: 41.7 CG :: 27.02 CD1 :: 23.876 CD2 :: 25.925 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 :: 8.9080 HA :: 3.674 HB2 :: 1.857 HB3 :: 1.185 HG :: 1.539 HD1 :: 0.834 HD2 :: 0.830 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 :: 121.1250 Ave N Shift Values>> N :: 121.98(4.07) E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.27 K 0.15 Q 0.07 M 0.02 C Shift Assignments>> C :: 179.6310 CA :: 59.22 CB :: 28.9640 CG :: 36.032 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 :: 7.8270 HA :: 3.921 HB2 :: 2.132 HG2 :: 2.507 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 :: 116.2290 Ave N Shift Values>> N :: 120.68(3.68) A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 C Shift Assignments>> C :: 179.7800 CA :: 54.74 CB :: 18.135 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.5500 HA :: 4.208 HB :: 1.538 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.4720 Ave N Shift Values>> N :: 123.23(3.7) L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.14 K 0.01 G 0.01 C Shift Assignments>> C :: 178.8350 CA :: 59.09 CB :: 41.619 CG :: 26.94 CD1 :: 24.878 CD2 :: 26.003 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 :: 7.5610 HA :: 3.911 HB2 :: 1.824 HB3 :: 1.384 HG :: 1.125 HD1 :: 0.734 HD2 :: 0.437 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 :: 122.0020 Ave N Shift Values>> N :: 121.98(4.07) F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.2740 CA :: 58.62 CB :: 37.2490 CD1 :: 131.5 CD2 :: 131.5 CE1 :: 130.62 CE2 :: 130.62 CZ :: 128.55 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 :: 8.5180 HA :: 4.518 HB2 :: 3.366 HD1 :: 7.264 HD2 :: 7.264 HE1 :: 7.228 HE2 :: 7.228 HZ :: 7.091 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 :: 118.0200 Ave N Shift Values>> N :: 120.69(4.18) T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.4070 CA :: 67.1960 CB :: 69.0890 CG2 :: 22.341 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 :: 8.3710 HA :: 3.931 HB :: 4.396 HG2 :: 1.267 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 :: 115.0950 Ave N Shift Values>> N :: 115.7(5.05) K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.28 M 0.02 G 0.01 C Shift Assignments>> C :: 179.6370 CA :: 59.1780 CB :: 32.4670 CG :: 25.374 CD :: 29.067 CE :: 41.99 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 :: 7.9810 HA :: 4.138 HB2 :: 2.051 HG2 :: 1.659 HD2 :: 1.793 HE2 :: 2.992 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 :: 120.0940 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.24 K 0.1 M 0.05 Q 0.03 C Shift Assignments>> C :: 179.5040 CA :: 58.6380 CB :: 29.6650 CG :: 36.491 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 :: 8.2930 HA :: 4.262 HB2 :: 2.178 HG2 :: 2.527 HG3 :: 2.364 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 :: 117.3090 Ave N Shift Values>> N :: 120.68(3.68) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.21 G 0.02 K 0.01 C Shift Assignments>> C :: 179.5120 CA :: 57.6990 CB :: 42.1330 CG :: 27.24 CD1 :: 23.99 CD2 :: 25.81 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 :: 8.7010 HA :: 4.291 HB2 :: 2.155 HB3 :: 1.574 HG :: 1.977 HD1 :: 1.037 HD2 :: 0.875 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 :: 119.8120 Ave N Shift Values>> N :: 121.98(4.07) E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.32 K 0.07 M 0.03 C Shift Assignments>> C :: 177.5020 CA :: 58.270 CB :: 29.4110 CG :: 37.201 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 :: 8.3520 HA :: 4.367 HB2 :: 2.156 HG2 :: 2.647 HG3 :: 2.310 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 :: 118.3330 Ave N Shift Values>> N :: 120.68(3.68) K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.39 M 0.02 G 0.01 C Shift Assignments>> C :: 177.4060 CA :: 58.16 CB :: 33.2820 CG :: 25.67 CD :: 29.67 CE :: 42.08 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 :: 7.3960 HA :: 4.260 HB2 :: 1.99 HB3 :: 1.97 HG2 :: 1.783 HG3 :: 1.516 HD2 :: 1.750 HE2 :: 2.999 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 :: 116.4800 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.3330 CA :: 62.684 CB :: 33.651 CG1 :: 20.98 CG2 :: 21.23 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 :: 7.4420 HA :: 4.063 HB :: 1.904 HG1 :: 0.845 HG2 :: 0.492 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 :: 114.7650 Ave N Shift Values>> N :: 121.02(4.96) Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> E65 C Shift Assignments>> C :: 174.5320 CA :: 58.1570 CB :: 40.6090 CD1 :: 133.375 CD2 :: 133.375 CE1 :: 117.838 CE2 :: 117.838 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 :: 8.1360 HA :: 4.577 HB2 :: 2.978 HB3 :: 2.883 HD1 :: 7.221 HD2 :: 7.221 HE1 :: 6.741 HE2 :: 6.741 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 :: 120.4350 Ave N Shift Values>> N :: 120.79(4.69) D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.22 N 0.16 K 0.07 R 0.05 F 0.04 Y 0.03 G 0.02 C Shift Assignments>> CA :: 51.41 CB :: 41.88 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 :: 9.0960 HA :: 5.035 HB2 :: 2.911 HB3 :: 2.582 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 :: 121.3730 Ave N Shift Values>> N :: 120.73(4.2) P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.4080 CA :: 63.9190 CB :: 32.44 CG :: 27.44 CD :: 50.93 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 :: 4.487 HB2 :: 2.296 HB3 :: 2.075 HG2 :: 2.052 HD2 :: 3.97 HD3 :: 3.699 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) K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.04 C Shift Assignments>> C :: 176.9520 CA :: 57.16 CB :: 32.25 CG :: 24.97 CD :: 28.81 CE :: 41.65 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 :: 8.4030 HA :: 4.266 HB2 :: 1.878 HG2 :: 1.45 HD2 :: 1.73 HE2 :: 3.038 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 :: 117.8060 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.3 Y 0.08 F 0.07 L 0.07 C Shift Assignments>> C :: 175.1370 CA :: 53.00 CB :: 39.4990 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 :: 7.7770 HA :: 4.829 HB2 :: 3.010 HB3 :: 2.797 HD21 :: 8.065 HD22 :: 6.950 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 :: 116.3320 ND2 :: 114.55 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.13 K 0.13 I 0.08 Q 0.07 HN Overlap>> M69 C Shift Assignments>> C :: 176.6170 CA :: 56.73 CB :: 30.08 CG :: 36.30 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 :: 8.2860 HA :: 4.436 HB2 :: 2.118 HG2 :: 2.313 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 :: 120.5590 Ave N Shift Values>> N :: 120.68(3.68) E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.17 K 0.13 M 0.07 Q 0.06 C Shift Assignments>> C :: 177.7490 CA :: 58.2630 CB :: 29.8360 CG :: 36.247 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 :: 8.6190 HA :: 4.252 HB2 :: 2.106 HG2 :: 2.346 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 :: 122.0130 Ave N Shift Values>> N :: 120.68(3.68) D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.16 F 0.15 Y 0.13 N 0.05 R 0.03 I 0.01 C Shift Assignments>> C :: 176.8220 CA :: 55.67 CB :: 40.97 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 :: 8.4840 HA :: 4.632 HB2 :: 2.785 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 :: 119.4070 Ave N Shift Values>> N :: 120.73(4.2) D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.19 F 0.16 K 0.14 Y 0.14 N 0.07 R 0.02 I 0.01 C Shift Assignments>> C :: 177.4360 CA :: 55.6440 CB :: 40.7770 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 :: 8.1040 HA :: 4.63 HB2 :: 2.915 HB3 :: 2.776 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 :: 120.2110 Ave N Shift Values>> N :: 120.73(4.2) M59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> CA :: 57.9830 CB :: 32.201 CG :: 32.219 CE :: 17.75 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 :: 8.1820 HA :: 4.23 HB2 :: 2.186 HG2 :: 2.635 HG3 :: 2.186 HE :: 2.131 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 :: 119.7640 Ave N Shift Values>> N :: 120.1(3.88) R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.13 G 0.1 L 0.02 HN Overlap>> K2 C Shift Assignments>> C :: 178.8610 CA :: 59.04 CB :: 29.78 CG :: 27.24 CD :: 43.14 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 :: 7.9870 HA :: 4.093 HB2 :: 1.948 HG2 :: 1.722 HD3 :: 3.266 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 :: 119.4160 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.33 K 0.09 M 0.03 Q 0.02 HN Overlap>> D9 R70 C Shift Assignments>> C :: 178.5550 CA :: 59.1640 CB :: 29.4260 CG :: 36.614 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 :: 8.1290 HA :: 4.004 HB2 :: 2.027 HG2 :: 2.406 HG3 :: 2.320 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 :: 119.2950 Ave N Shift Values>> N :: 120.68(3.68) M62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 A 0.01 I 0.01 C Shift Assignments>> C :: 177.7220 CA :: 59.09 CB :: 32.5940 CG :: 32.557 CE :: 17.982 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 :: 7.9860 HA :: 3.483 HB2 :: 2.018 HB3 :: 1.66 HG2 :: 2.401 HG3 :: 2.326 HE :: 1.962 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 :: 119.0490 Ave N Shift Values>> N :: 120.1(3.88) E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 K 0.19 I 0.19 Q 0.11 M 0.03 R 0.01 C Shift Assignments>> C :: 179.4360 CA :: 58.6720 CB :: 28.9450 CG :: 35.80 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 :: 7.8090 HA :: 4.117 HB2 :: 2.129 HG2 :: 2.412 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 :: 117.8500 Ave N Shift Values>> N :: 120.68(3.68) E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.34 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.5030 CA :: 59.5130 CB :: 29.3090 CG :: 36.43 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 :: 7.9880 HA :: 4.071 HB2 :: 2.165 HB3 :: 2.07 HG2 :: 2.289 HG3 :: 2.435 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 :: 119.8680 Ave N Shift Values>> N :: 120.68(3.68) E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.25 K 0.15 Q 0.07 M 0.02 HN Overlap>> Y50 C Shift Assignments>> C :: 178.6560 CA :: 58.9350 CB :: 28.9820 CG :: 36.072 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 :: 8.1620 HA :: 4.189 HB2 :: 2.142 HG2 :: 2.427 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 :: 120.4500 Ave N Shift Values>> N :: 120.68(3.68) R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.21 K 0.08 C Shift Assignments>> C :: 178.0160 CA :: 60.60 CB :: 30.62 CG :: 27.32 CD :: 43.51 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 :: 8.4210 HA :: 3.586 HB2 :: 1.975 HG2 :: 1.644 HG3 :: 1.446 HD3 :: 3.256 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 :: 121.0210 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.07 C Shift Assignments>> C :: 179.4590 CA :: 58.22 CB :: 41.429 CG :: 27.195 CD1 :: 24.938 CD2 :: 23.939 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 :: 7.6460 HA :: 3.984 HB2 :: 1.750 HG :: 1.807 HD1 :: 0.963 HD2 :: 0.925 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 :: 117.5070 Ave N Shift Values>> N :: 121.98(4.07) R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 K 0.18 G 0.11 HN Overlap>> R15 C Shift Assignments>> C :: 180.0190 CA :: 59.5590 CB :: 30.3690 CG :: 28.104 CD :: 43.235 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 :: 7.7330 HA :: 4.042 HB2 :: 1.992 HB3 :: 1.864 HG2 :: 1.783 HG3 :: 1.588 HD2 :: 3.203 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 :: 118.9620 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) M69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.97 I 0.01 HN Overlap>> E55 C Shift Assignments>> C :: 177.2120 CA :: 59.75 CB :: 32.0680 CG :: 32.20 CE :: 17.259 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 :: 8.3200 HA :: 3.89 HB2 :: 1.527 HB3 :: 1.257 HG2 :: 2.651 HE :: 2.029 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 :: 120.5200 Ave N Shift Values>> N :: 120.1(3.88) R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 G 0.36 K 0.04 HN Overlap>> E61 C Shift Assignments>> C :: 178.7670 CA :: 60.28 CB :: 30.79 CG :: 27.63 CD :: 44.07 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 :: 8.0720 HA :: 3.854 HB2 :: 1.939 HG2 :: 1.791 HD2 :: 3.316 HD3 :: 3.163 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 :: 119.3120 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.35 K 0.09 M 0.02 Q 0.02 HN Overlap>> D30 C Shift Assignments>> C :: 178.3120 CA :: 59.4620 CB :: 29.3980 CG :: 36.52 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 :: 8.2780 HA :: 4.024 HB2 :: 2.110 HG2 :: 2.385 HG3 :: 2.247 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 :: 118.0560 Ave N Shift Values>> N :: 120.68(3.68) H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.61 H 0.38 C Shift Assignments>> C :: 178.5560 CA :: 59.79 CB :: 30.82 CD2 :: 119.816 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 :: 8.0830 HA :: 4.295 HB2 :: 3.289 HD2 :: 7.095 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 :: 118.3720 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> D30 C Shift Assignments>> C :: 178.0790 CA :: 66.44 CB :: 31.59 CG1 :: 24.37 CG2 :: 22.49 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 :: 8.2080 HA :: 3.499 HB :: 2.415 HG1 :: 1.330 HG2 :: 1.104 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 :: 118.2260 Ave N Shift Values>> N :: 121.02(4.96) M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.91 A 0.07 I 0.01 C Shift Assignments>> C :: 177.7960 CA :: 57.65 CB :: 31.62 CG :: 32.90 CE :: 17.478 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 :: 8.4380 HA :: 4.414 HB2 :: 2.216 HG2 :: 2.833 HE :: 2.064 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 :: 117.1610 Ave N Shift Values>> N :: 120.1(3.88) K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.32 M 0.02 G 0.01 C Shift Assignments>> C :: 177.7530 CA :: 58.16 CB :: 33.4760 CG :: 25.251 CD :: 29.03 CE :: 42.15 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 :: 8.2550 HA :: 4.288 HB2 :: 1.804 HB3 :: 1.679 HG2 :: 1.476 HG3 :: 1.346 HD2 :: 1.64 HE2 :: 2.954 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 :: 114.8420 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.23 L 0.13 F 0.11 Y 0.11 K 0.04 C Shift Assignments>> C :: 175.0980 CA :: 54.1750 CB :: 40.122 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 :: 7.9060 HA :: 4.814 HB2 :: 2.557 HB3 :: 2.247 HD21 :: 7.663 HD22 :: 7.002 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 :: 112.2550 ND2 :: 115.16 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.8590 CA :: 63.87 CB :: 32.67 CG1 :: 22.31 CG2 :: 21.69 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 :: 7.4510 HA :: 4.240 HB :: 2.502 HG1 :: 1.167 HG2 :: 0.861 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 :: 117.7580 Ave N Shift Values>> N :: 121.02(4.96) D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.29 Y 0.07 F 0.07 L 0.06 C Shift Assignments>> C :: 177.3170 CA :: 52.8540 CB :: 39.4410 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 :: 8.0180 HA :: 4.828 HB2 :: 2.991 HB3 :: 2.221 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 :: 117.4370 Ave N Shift Values>> N :: 120.73(4.2) T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.7740 CA :: 65.140 CB :: 69.026 CG2 :: 22.560 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 :: 8.1640 HA :: 3.989 HB :: 4.309 HG2 :: 1.255 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 :: 118.8490 Ave N Shift Values>> N :: 115.7(5.05) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 Y 0.06 E 0.05 D 0.05 M 0.05 F 0.03 K 0.01 C Shift Assignments>> C :: 174.8400 CA :: 52.1100 CB :: 36.973 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 :: 7.795 HA :: 4.858 HB2 :: 3.254 HB3 :: 2.811 HD21 :: 7.781 HD22 :: 6.605 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 :: 115.47 ND2 :: 112.26 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.31 R 0.11 E 0.1 I 0.05 M 0.03 C Shift Assignments>> C :: 174.9250 CA :: 57.2890 CB :: 26.3370 CG :: 34.416 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 :: 7.7580 HA :: 4.120 HB2 :: 2.216 HG2 :: 2.298 HE21 :: 7.572 HE22 :: 6.875 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 :: 113.1880 NE2 :: 113.64 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.28 L 0.14 F 0.07 Y 0.06 K 0.04 C Shift Assignments>> C :: 176.3730 CA :: 52.9770 CB :: 40.483 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 :: 8.1550 HA :: 4.669 HB2 :: 3.079 HB3 :: 2.374 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 :: 117.6890 Ave N Shift Values>> N :: 120.73(4.2) R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 K 0.28 R 0.19 G 0.11 C Shift Assignments>> C :: 174.1010 CA :: 57.82 CB :: 26.6470 CG :: 28.02 CD :: 43.22 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 :: 10.1770 HA :: 3.614 HB2 :: 2.170 HB3 :: 2.051 HG2 :: 1.547 HD2 :: 3.22 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 :: 115.4740 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.42 A 0.05 R 0.01 C Shift Assignments>> C :: 176.9290 CA :: 52.90 CB :: 44.46 CG :: 25.91 CD1 :: 23.27 CD2 :: 25.51 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 :: 7.8780 HA :: 4.867 HB2 :: 1.874 HB3 :: 1.031 HG :: 1.572 HD1 :: 0.929 HD2 :: 0.846 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 :: 117.1480 Ave N Shift Values>> N :: 121.98(4.07) V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.4370 CA :: 61.18 CB :: 33.57 CG1 :: 22.71 CG2 :: 22.36 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 :: 9.0760 HA :: 5.218 HB :: 2.309 HG1 :: 1.295 HG2 :: 0.947 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 :: 124.8280 Ave N Shift Values>> N :: 121.02(4.96) T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.2760 CA :: 60.8370 CB :: 71.3150 CG2 :: 22.605 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 :: 9.1300 HA :: 4.878 HB :: 4.878 HG1 :: 5.871 HG2 :: 1.410 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 :: 119.0240 Ave N Shift Values>> N :: 115.7(5.05) L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 178.0990 CA :: 58.480 CB :: 40.51 CG :: 26.771 CD1 :: 25.75 CD2 :: 23.05 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 :: 8.0660 HA :: 3.109 HB2 :: 1.541 HB3 :: 0.718 HG :: 1.315 HD1 :: 0.830 HD2 :: 0.488 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 :: 122.5810 Ave N Shift Values>> N :: 121.98(4.07) E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 E 0.36 K 0.05 M 0.01 C Shift Assignments>> C :: 180.1320 CA :: 60.4880 CB :: 29.1280 CG :: 36.821 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 :: 8.5720 HA :: 3.906 HB2 :: 2.079 HB3 :: 1.977 HG2 :: 2.273 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 :: 116.9870 Ave N Shift Values>> N :: 120.68(3.68) E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.35 K 0.07 M 0.03 Q 0.01 C Shift Assignments>> C :: 180.4480 CA :: 58.943 CB :: 29.4590 CG :: 36.945 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 :: 8.0890 HA :: 4.153 HB2 :: 2.607 HB3 :: 2.408 HG2 :: 2.591 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 :: 119.9300 Ave N Shift Values>> N :: 120.68(3.68) F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 179.1340 CA :: 62.13 CB :: 40.18 CD1 :: 132.26 CD2 :: 132.26 CE1 :: 131.767 CE2 :: 131.767 CZ :: 130.947 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 :: 8.9790 HA :: 4.168 HB2 :: 3.289 HD1 :: 7.203 HD2 :: 7.203 HE1 :: 6.645 HE2 :: 6.645 HZ :: 7.118 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 :: 121.5900 Ave N Shift Values>> N :: 120.69(4.18) L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.04 A 0.01 C Shift Assignments>> C :: 180.0150 CA :: 57.71 CB :: 40.846 CG :: 26.79 CD1 :: 25.58 CD2 :: 22.54 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 :: 9.4180 HA :: 3.911 HB2 :: 1.884 HB3 :: 1.494 HG :: 1.926 HD1 :: 0.859 HD2 :: 0.843 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 :: 120.1810 Ave N Shift Values>> N :: 121.98(4.07) A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.44 I 0.02 C Shift Assignments>> C :: 179.8250 CA :: 54.73 CB :: 18.07 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.0800 HA :: 4.211 HB :: 1.559 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.0150 Ave N Shift Values>> N :: 123.23(3.7) S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 175.2690 CA :: 60.4500 CB :: 64.4420 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.6090 HA :: 4.538 HB2 :: 4.133 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 :: 111.6280 Ave N Shift Values>> N :: 116.3(3.95) T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.6860 CA :: 62.4990 CB :: 69.7740 CG2 :: 21.68 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 :: 7.4890 HA :: 4.424 HB :: 4.238 HG2 :: 0.833 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 :: 111.3940 Ave N Shift Values>> N :: 115.7(5.05) Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.31 E 0.15 M 0.11 R 0.06 C Shift Assignments>> C :: 175.7560 CA :: 55.99 CB :: 29.4090 CG :: 33.785 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 :: 7.5930 HA :: 4.378 HB2 :: 2.189 HB3 :: 2.073 HG2 :: 2.431 HE21 :: 7.414 HE22 :: 6.798 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 :: 120.2990 NE2 :: 111.56 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.2 G 0.11 C Shift Assignments>> C :: 175.9520 CA :: 56.22 CB :: 30.91 CG :: 27.35 CD :: 43.37 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 :: 8.1090 HA :: 4.336 HB2 :: 1.831 HG2 :: 1.68 HG3 :: 1.642 HD3 :: 3.204 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 :: 121.5670 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.67 R 0.23 M 0.06 C Shift Assignments>> C :: 176.0880 CA :: 56.0510 CB :: 32.9360 CG :: 24.60 CD :: 29.23 CE :: 41.86 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 :: 8.361 HA :: 4.295 HB2 :: 1.717 HG2 :: 1.323 HD2 :: 1.597 HE2 :: 2.912 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 :: 122.4208 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.22 K 0.09 Q 0.08 I 0.05 HN Overlap>> D12 C Shift Assignments>> C :: 174.9670 CA :: 56.4750 CB :: 30.7120 CG :: 36.13 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 :: 8.2640 HA :: 4.293 HB2 :: 2.014 HB3 :: 1.855 HG2 :: 2.210 HG3 :: 2.179 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 :: 121.3650 Ave N Shift Values>> N :: 120.68(3.68) F99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.5 Y 0.49 C Shift Assignments>> CA :: 59.13 CB :: 40.6 CD1 :: 132.053 CD2 :: 132.053 CZ :: 129.55 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 :: 7.6910 HA :: 4.423 HB2 :: 3.017 HB3 :: 3.146 HD1 :: 7.22 HD2 :: 7.22 HE1 :: 7.157 HE2 :: 7.157 HZ :: 6.369 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 :: 124.8790 Ave N Shift Values>> N :: 120.69(4.18) ########################################################################### Overall Results: #Consistent: 99 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 433 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 522 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 99 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0