M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.17 C 0.17 Q 0.12 R 0.09 H 0.08 W 0.07 E 0.05 V 0.01 C Shift Assignments>> CA :: 55.61 CB :: 32.71 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 :: 8.52 HA :: 4.46 HB2 :: 2.07 HB3 :: 1.99 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 :: 117.97 Ave N Shift Values>> N :: 120.1(3.88) N2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.2 C 0.16 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.49 CA :: 53.40 CB :: 38.90 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 :: 8.50 HA :: 4.70 HB2 :: 2.82 HB3 :: 2.71 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 :: 119.84 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 178.57 CA :: 45.70 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.41 HA3 :: 3.98 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.20 Ave N Shift Values>> N :: 109.91(4.29) T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> L79 C Shift Assignments>> C :: 177.23 CA :: 61.97 CB :: 69.94 CG2 :: 21.85 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 :: 8.03 HA :: 4.36 HB :: 4.22 HG2 :: 1.21 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 :: 113.56 Ave N Shift Values>> N :: 115.7(5.05) L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.27 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 176.94 CA :: 55.14 CB :: 42.43 CG :: 27.01 CD1 :: 25.04 CD2 :: 23.57 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 :: 8.26 HA :: 4.36 HB3 :: 1.59 HG :: 1.60 HD1 :: 0.89 HD2 :: 0.87 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 :: 123.47 Ave N Shift Values>> N :: 121.98(4.07) D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.13 C 0.11 F 0.08 N 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 175.37 CA :: 54.46 CB :: 41.21 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 :: 8.19 HA :: 4.49 HB3 :: 2.55 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 :: 120.53 Ave N Shift Values>> N :: 120.73(4.2) H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 C 0.16 Q 0.13 K 0.13 R 0.11 L 0.1 W 0.08 E 0.05 M 0.03 C Shift Assignments>> C :: 172.30 CA :: 53.19 CB :: 28.50 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 :: 7.95 HA :: 4.86 HB2 :: 3.04 HB3 :: 2.68 HD2 :: 7.29 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 :: 116.75 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.36 CA :: 62.58 CB :: 32.43 CG :: 27.36 CD :: 50.23 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 :: 4.54 HB2 :: 2.37 HB3 :: 1.98 HG2 :: 1.97 HG3 :: 1.87 HD2 :: 3.64 HD3 :: 3.13 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) D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.19 K 0.15 F 0.11 C 0.11 Y 0.1 N 0.05 R 0.03 C Shift Assignments>> C :: 175.66 CA :: 55.43 CB :: 41.13 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 :: 8.69 HA :: 4.74 HB2 :: 2.82 HB3 :: 2.74 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 :: 120.22 Ave N Shift Values>> N :: 120.73(4.2) Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 M 0.26 Q 0.2 K 0.16 R 0.03 E 0.02 HN Overlap>> T163 C Shift Assignments>> C :: 172.40 CA :: 52.85 CB :: 30.40 CG :: 32.90 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 :: 7.96 HA :: 4.55 HB2 :: 2.07 HB3 :: 1.78 HG3 :: 2.29 HE21 :: 7.54 HE22 :: 6.82 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 :: 117.44 NE2 :: 112.13 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 175.17 CA :: 62.51 CB :: 31.58 CG :: 27.55 CD :: 49.55 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 :: 4.50 HB2 :: 1.75 HB3 :: 1.69 HG2 :: 1.48 HG3 :: 0.76 HD3 :: 3.05 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) D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 177.80 CA :: 54.68 CB :: 41.16 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 :: 8.90 HA :: 4.57 HB2 :: 2.96 HB3 :: 2.86 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 :: 121.76 Ave N Shift Values>> N :: 120.73(4.2) L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.35 R 0.05 C Shift Assignments>> C :: 177.39 CA :: 57.67 CB :: 41.56 CG :: 27.13 CD1 :: 24.92 CD2 :: 23.68 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 :: 8.78 HA :: 4.06 HB2 :: 1.72 HB3 :: 1.57 HG :: 1.75 HD1 :: 0.94 HD2 :: 0.90 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 :: 120.95 Ave N Shift Values>> N :: 121.98(4.07) D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.25 C 0.13 L 0.05 Y 0.04 F 0.04 C Shift Assignments>> C :: 175.64 CA :: 51.95 CB :: 39.57 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 :: 8.22 HA :: 4.65 HB2 :: 2.96 HB3 :: 2.48 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 :: 114.80 Ave N Shift Values>> N :: 120.73(4.2) A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.27 C 0.03 L 0.01 C Shift Assignments>> C :: 177.10 CA :: 53.38 CB :: 19.63 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.22 HA :: 3.84 HB :: 1.36 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.17 Ave N Shift Values>> N :: 123.23(3.7) I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 I 0.43 G 0.07 C Shift Assignments>> C :: 174.31 CA :: 59.56 CB :: 42.64 CG2 :: 17.53 CD1 :: 14.31 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 :: 8.53 HA :: 4.34 HB :: 1.57 HG2 :: 0.90 HD1 :: 0.86 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 :: 120.15 Ave N Shift Values>> N :: 121.6(4.72) K17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 M 0.21 C Shift Assignments>> C :: 175.91 CA :: 57.03 CB :: 32.60 CG :: 24.49 CD :: 34.08(S) 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 :: 8.72 HA :: 4.39 HB2 :: 1.72 HB3 :: 1.63 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 :: 128.22 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.39 E 0.1 Q 0.08 C Shift Assignments>> C :: 175.08 CA :: 54.17 CB :: 34.72 CG :: 32.76 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 :: 8.66 HA :: 5.01 HB2 :: 2.21 HB3 :: 1.56 HG2 :: 2.69 HG3 :: 2.53 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 :: 127.06 Ave N Shift Values>> N :: 120.1(3.88) F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.37 C 0.24 C Shift Assignments>> C :: 173.33 CA :: 57.76 CB :: 40.80 CD1 :: 132.09 CZ :: 129.64 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 :: 9.71 HA :: 4.92 HB2 :: 3.05 HB3 :: 3.01 HD1 :: 6.77 HE1 :: 7.07 HZ :: 7.27 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 :: 124.90 Ave N Shift Values>> N :: 120.69(4.18) V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.23 CA :: 60.23 CB :: 33.24 CG1 :: 21.65 CG2 :: 21.46 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 :: 8.37 HA :: 4.98 HB :: 2.18 HG1 :: 0.75 HG2 :: 0.89 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 :: 128.86 Ave N Shift Values>> N :: 121.02(4.96) G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.27 K 0.11 D 0.07 C 0.07 F 0.06 Y 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 173.01 CA :: 42.76 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.23 HA2 :: 4.29 HA3 :: 4.02 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.25 Ave N Shift Values>> N :: 109.91(4.29) Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.32 C 0.12 R 0.07 M 0.04 I 0.02 Q 0.02 H 0.01 C Shift Assignments>> C :: 174.12 CA :: 56.26 CB :: 24.40 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 :: 8.23 HA :: 3.70 HB2 :: 2.39 HB3 :: 1.96 HG3 :: 2.16 HE21 :: 7.32 HE22 :: 6.69 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 :: 109.40 NE2 :: 111.77 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.28 A 0.05 C Shift Assignments>> C :: 173.60 CA :: 57.61 CB :: 32.92 CG1 :: 19.67 CG2 :: 21.62 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 :: 7.24 HA :: 4.27 HB :: 1.44 HG1 :: 0.48 HG2 :: 0.75 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 :: 114.51 Ave N Shift Values>> N :: 121.02(4.96) P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 179.67 CA :: 63.45 CB :: 32.30 CG :: 27.50 CD :: 51.11 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 :: 4.41 HB2 :: 2.29 HB3 :: 1.90 HG2 :: 2.06 HG3 :: 1.97 HD2 :: 3.88 HD3 :: 3.67 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) R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.37 K 0.1 G 0.07 C Shift Assignments>> C :: 175.82 CA :: 58.85 CB :: 29.98 CG :: 28.24 CD :: 43.32 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 :: 9.15 HA :: 3.93 HB2 :: 2.03 HB3 :: 1.82 HG2 :: 1.84 HG3 :: 1.49 HD3 :: 3.22 HE :: 7.11 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 :: 124.85 NE :: 84.62 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 175.89 CA :: 61.39 CB :: 69.20 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 :: 7.19 HA :: 4.33 HB :: 4.59 HG2 :: 1.27 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 :: 103.31 Ave N Shift Values>> N :: 115.7(5.05) W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 C 0.12 Q 0.12 K 0.11 H 0.11 R 0.11 I 0.05 M 0.03 V 0.01 C Shift Assignments>> C :: 176.53 CA :: 58.15 CB :: 29.48 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 :: 7.44 HA :: 4.97 HB2 :: 3.20 HB3 :: 3.04 HD1 :: 7.08 HE1 :: 10.22 HZ2 :: 7.42 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 :: 122.57 NE1 :: 129.22 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 T 0.22 C Shift Assignments>> C :: 174.58 CA :: 56.07 CB :: 66.86 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.82 HA :: 4.76 HB2 :: 4.29 HB3 :: 4.04 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 :: 120.76 Ave N Shift Values>> N :: 116.3(3.95) E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.24 E 0.04 C Shift Assignments>> C :: 177.59 CA :: 62.00 CB :: 28.55 CG :: 38.16 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 :: 9.87 HA :: 3.75 HB2 :: 2.17 HB3 :: 1.97 HG2 :: 2.65 HG3 :: 2.21 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 :: 121.00 Ave N Shift Values>> N :: 120.68(3.68) K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.38 R 0.16 M 0.02 G 0.01 C Shift Assignments>> C :: 178.21 CA :: 59.74 CB :: 32.33 CG :: 24.60 CD :: 29.35 CE :: 42.09 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 :: 8.10 HA :: 3.92 HB2 :: 1.79 HB3 :: 1.58 HG2 :: 1.26 HG3 :: 1.37 HD3 :: 1.55 HE3 :: 2.91 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 :: 118.74 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 F 0.16 L 0.16 Y 0.13 C 0.13 D 0.12 R 0.04 I 0.02 N 0.01 HN Overlap>> L35 C Shift Assignments>> C :: 178.51 CA :: 56.83 CB :: 41.17 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 :: 7.02 HA :: 3.77 HB3 :: 2.12 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 :: 118.54 Ave N Shift Values>> N :: 120.73(4.2) L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.34 L 0.22 K 0.03 G 0.02 C Shift Assignments>> C :: 177.65 CA :: 57.34 CB :: 42.65 CG :: 28.51 CD1 :: 23.62 CD2 :: 26.36 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 :: 7.72 HA :: 3.95 HB2 :: 1.94 HB3 :: 1.55 HG :: 1.92 HD1 :: 1.13 HD2 :: 0.92 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 :: 118.34 Ave N Shift Values>> N :: 121.98(4.07) R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.28 G 0.12 K 0.08 C Shift Assignments>> C :: 177.01 CA :: 61.46 CB :: 29.69 CG :: 29.55 CD :: 42.96 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 :: 8.82 HA :: 3.72 HB2 :: 1.88 HB3 :: 1.47 HG2 :: 1.88 HG3 :: 1.47 HD2 :: 3.30 HD3 :: 3.05 HE :: 7.88 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 :: 121.39 NE :: 84.79 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.72 CA :: 59.06 CB :: 29.08 CG :: 36.45 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 :: 7.41 HA :: 3.96 HB3 :: 1.94 HG2 :: 2.36 HG3 :: 2.16 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 :: 116.24 Ave N Shift Values>> N :: 120.68(3.68) L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.34 R 0.18 K 0.01 G 0.01 HN Overlap>> D31 C Shift Assignments>> C :: 178.38 CA :: 57.67 CB :: 42.02 CG :: 27.46 CD1 :: 26.52 CD2 :: 23.32 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 :: 6.96 HA :: 4.26 HB2 :: 1.85 HB3 :: 1.58 HG :: 1.11 HD1 :: 0.64 HD2 :: 1.00 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 :: 118.53 Ave N Shift Values>> N :: 121.98(4.07) F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 F 0.2 Y 0.18 C 0.16 C Shift Assignments>> C :: 178.26 CA :: 61.51 CB :: 39.29 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 :: 8.43 HA :: 4.77 HB2 :: 3.38 HB3 :: 2.71 HD1 :: 7.20 HE1 :: 6.97 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 :: 114.56 Ave N Shift Values>> N :: 120.69(4.18) E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 I 0.36 E 0.13 L 0.03 K 0.01 C Shift Assignments>> C :: 177.95 CA :: 58.20 CB :: 28.68 CG :: 38.88 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 :: 9.09 HA :: 5.10 HB2 :: 2.19 HB3 :: 2.09 HG2 :: 2.63 HG3 :: 2.52 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 :: 117.41 Ave N Shift Values>> N :: 120.68(3.68) Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.24 E 0.12 R 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 176.76 CA :: 58.02 CB :: 28.70 CG :: 33.94 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 :: 7.15 HA :: 4.01 HB2 :: 1.77 HB3 :: 1.59 HG3 :: 2.10 HE21 :: 7.69 HE22 :: 6.86 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 :: 116.70 NE2 :: 112.16 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.3 C 0.28 C Shift Assignments>> C :: 174.78 CA :: 59.19 CB :: 39.17 CD1 :: 132.92 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 :: 8.18 HA :: 4.39 HB2 :: 3.12 HB3 :: 2.94 HD1 :: 7.36 HE1 :: 6.72 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 :: 116.11 Ave N Shift Values>> N :: 120.79(4.69) G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.53 CA :: 44.39 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.44 HA2 :: 4.28 HA3 :: 3.99 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.04 Ave N Shift Values>> N :: 109.91(4.29) A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.24 C 0.02 L 0.01 C Shift Assignments>> C :: 178.81 CA :: 53.00 CB :: 19.37 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.13 HA :: 4.62 HB :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.62 Ave N Shift Values>> N :: 123.23(3.7) V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.69 CA :: 62.97 CB :: 34.09 CG1 :: 22.92 CG2 :: 22.32 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 :: 9.65 HA :: 3.77 HB :: 1.94 HG1 :: 0.58 HG2 :: 0.39 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 :: 126.29 Ave N Shift Values>> N :: 121.02(4.96) Y43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.42 C 0.37 F 0.19 HN Overlap>> L140 C Shift Assignments>> C :: 174.69 CA :: 59.28 CB :: 38.09 CD1 :: 133.48 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 :: 8.34 HA :: 4.05 HB2 :: 2.01 HB3 :: 1.13(S) HD1 :: 6.71 HE1 :: 6.78 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 :: 129.49 Ave N Shift Values>> N :: 120.79(4.69) E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 M 0.1 E 0.07 C Shift Assignments>> C :: 173.78 CA :: 55.55 CB :: 34.58 CG :: 36.67 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 :: 7.31 HA :: 4.31 HB2 :: 1.56 HB3 :: 1.50 HG2 :: 1.74 HG3 :: 1.86 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 :: 116.66 Ave N Shift Values>> N :: 120.68(3.68) I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 173.62 CA :: 59.83 CB :: 41.10 CG1 :: 26.91 CG2 :: 17.69 CD1 :: 14.86 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 :: 8.57 HA :: 4.77 HB :: 1.63 HG2 :: 0.90 HG13 :: 1.48 HD1 :: 0.90 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 :: 125.96 Ave N Shift Values>> N :: 121.6(4.72) N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.18 N 0.16 C 0.12 K 0.07 F 0.04 R 0.03 Y 0.03 C Shift Assignments>> C :: 174.56 CA :: 51.88 CB :: 41.59 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 :: 8.90 HA :: 5.21 HB2 :: 2.89 HB3 :: 2.67 HD21 :: 7.45 HD22 :: 6.96 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 :: 124.44 ND2 :: 110.92 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 175.37 CA :: 63.69 CB :: 32.47 CG1 :: 20.55 CG2 :: 22.76 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 :: 9.08 HA :: 3.76 HB :: 2.01 HG1 :: 0.96 HG2 :: 0.84 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 :: 127.01 Ave N Shift Values>> N :: 121.02(4.96) L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.39 R 0.05 A 0.01 C Shift Assignments>> C :: 175.90 CA :: 55.62 CB :: 41.07 CG :: 28.24 CD1 :: 23.78 CD2 :: 24.53 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 :: 7.92 HA :: 4.47 HB2 :: 1.74 HB3 :: 1.41 HG :: 1.53 HD1 :: 0.87 HD2 :: 0.72 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 :: 129.80 Ave N Shift Values>> N :: 121.98(4.07) R49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.27 R 0.13 G 0.1 C Shift Assignments>> C :: 175.16 CA :: 54.49 CB :: 34.23 CG :: 28.86 CD :: 43.29 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 :: 8.52 HA :: 5.02 HB2 :: 1.60 HB3 :: 1.28 HG2 :: 1.72 HG3 :: 1.23 HD2 :: 3.13 HD3 :: 2.87 HE :: 7.44 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 :: 120.95 NE :: 84.87 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.19 L 0.15 C 0.11 K 0.06 F 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 176.85 CA :: 52.70 CB :: 41.01 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 :: 9.00 HA :: 4.77 HB2 :: 3.00 HB3 :: 2.50 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 :: 120.46 Ave N Shift Values>> N :: 120.73(4.2) R51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 G 0.09 K 0.06 L 0.03 C Shift Assignments>> C :: 176.17 CA :: 56.73 CB :: 29.21 CG :: 28.25 CD :: 43.50 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 :: 8.81 HA :: 4.31 HB2 :: 2.12 HB3 :: 1.79 HG2 :: 1.57 HG3 :: 1.76 HD3 :: 3.26 HE :: 7.37 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 :: 124.15 NE :: 84.75 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.05 CA :: 60.04 CB :: 63.46 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.73 HA :: 4.36 HB2 :: 4.02 HB3 :: 3.91 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 :: 116.33 Ave N Shift Values>> N :: 116.3(3.95) Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.29 Q 0.19 E 0.06 K 0.06 C Shift Assignments>> C :: 173.38 CA :: 53.90 CB :: 31.50 CG :: 33.66 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 :: 7.02 HA :: 4.42 HB2 :: 2.12 HB3 :: 1.81 HG2 :: 2.25 HG3 :: 2.19 HE21 :: 7.17 HE22 :: 6.51 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 :: 119.58 NE2 :: 108.82 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.29 C 0.2 L 0.09 F 0.02 Y 0.02 K 0.02 G 0.01 C Shift Assignments>> C :: 173.20 CA :: 49.66 CB :: 41.01 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 :: 8.38 HA :: 4.89 HB2 :: 2.58 HB3 :: 2.83 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 :: 117.72 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 64.98 CB :: 31.95 CG :: 27.66 CD :: 50.56 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 :: 4.28 HB2 :: 2.28 HB3 :: 1.88 HG2 :: 2.03 HG3 :: 1.95 HD2 :: 3.71 HD3 :: 3.61 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) P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.73 CA :: 63.59 CB :: 32.73 CG :: 27.80 CD :: 50.34 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 :: 4.53 HB2 :: 2.04 HB3 :: 1.69 HG3 :: 2.13 HD2 :: 3.96 HD3 :: 3.65 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) Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.31 Q 0.15 E 0.05 K 0.03 HN Overlap>> K109 C Shift Assignments>> C :: 175.85 CA :: 54.07 CB :: 32.06 CG :: 33.66 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 :: 7.52 HA :: 4.63 HB2 :: 2.13 HB3 :: 1.92 HG3 :: 2.45 HE21 :: 7.55 HE22 :: 6.91 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 :: 121.51 NE2 :: 112.68 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.81 CA :: 58.35 CB :: 63.77 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.05 HA :: 4.47 HB2 :: 4.06 HB3 :: 4.19 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 :: 118.33 Ave N Shift Values>> N :: 116.3(3.95) K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 M 0.01 C Shift Assignments>> C :: 177.41 CA :: 56.45 CB :: 33.10 CG :: 25.96 CD :: 29.30 CE :: 41.50 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 :: 9.02 HA :: 4.42 HB2 :: 2.08 HB3 :: 1.53 HG2 :: 1.47 HG3 :: 1.40 HD3 :: 1.57 HE2 :: 2.90 HE3 :: 2.84 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 :: 124.46 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 172.90 CA :: 46.41 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.50 HA2 :: 3.42 HA3 :: 4.07 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.80 Ave N Shift Values>> N :: 109.91(4.29) C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 C 0.18 K 0.14 H 0.12 R 0.11 W 0.08 E 0.06 Q 0.05 C Shift Assignments>> C :: 172.60 CA :: 54.39 CB :: 32.02 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.22 HA :: 5.25 HB2 :: 3.21 HB3 :: 2.64 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 110.62 Ave N Shift Values>> N :: 119.95(4.79) C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.16 K 0.15 R 0.11 H 0.11 W 0.09 E 0.07 Q 0.06 V 0.01 C Shift Assignments>> C :: 170.85 CA :: 55.52 CB :: 32.16 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.09 HA :: 5.28 HB2 :: 2.78 HB3 :: 2.72 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 113.89 Ave N Shift Values>> N :: 119.95(4.79) F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 C 0.35 F 0.24 G 0.02 C Shift Assignments>> C :: 176.21 CA :: 55.84 CB :: 42.32 CE1 :: 132.09 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 :: 8.56 HA :: 6.01 HB2 :: 2.97 HB3 :: 2.90 HD1 :: 7.27 HE1 :: 7.52 HZ :: 7.39 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 :: 114.88 Ave N Shift Values>> N :: 120.69(4.18) V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.29 I 0.02 C Shift Assignments>> C :: 174.28 CA :: 59.74 CB :: 35.24 CG1 :: 19.37 CG2 :: 22.01 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 :: 9.28 HA :: 4.80 HB :: 1.31 HG1 :: 0.11 HG2 :: 0.04 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 :: 120.06 Ave N Shift Values>> N :: 121.02(4.96) T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.10 CA :: 60.91 CB :: 69.86 CG2 :: 20.86 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 :: 8.90 HA :: 4.94 HB :: 4.02 HG2 :: 1.08 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 :: 126.83 Ave N Shift Values>> N :: 115.7(5.05) F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.33 C 0.25 C Shift Assignments>> C :: 176.12 CA :: 59.76 CB :: 39.86 CD1 :: 132.70 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 :: 9.70 HA :: 4.66 HB2 :: 3.62 HB3 :: 3.07 HD1 :: 7.42 HE1 :: 7.12 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 :: 129.52 Ave N Shift Values>> N :: 120.69(4.18) Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 C 0.35 F 0.26 C Shift Assignments>> C :: 175.66 CA :: 64.51 CB :: 38.65 CD1 :: 133.11 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 :: 8.05 HA :: 3.82 HB2 :: 3.24 HB3 :: 3.08 HD1 :: 6.86 HE1 :: 6.54 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 :: 117.64 Ave N Shift Values>> N :: 120.79(4.69) T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 C 0.35 A 0.02 C Shift Assignments>> C :: 176.58 CA :: 58.42 CB :: 71.93 CG2 :: 21.50 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 :: 8.31 HA :: 4.98 HB :: 4.54 HG2 :: 1.34 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 :: 102.72 Ave N Shift Values>> N :: 115.7(5.05) R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.1 K 0.08 C Shift Assignments>> C :: 177.49 CA :: 60.02 CB :: 29.90 CG :: 28.34 CD :: 43.35 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 :: 10.02 HA :: 3.80 HB3 :: 1.83 HG3 :: 1.51 HD3 :: 3.21 HE :: 7.43 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 :: 127.88 NE :: 85.20 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.14 M 0.02 G 0.01 C Shift Assignments>> C :: 178.21 CA :: 59.69 CB :: 32.89 CG :: 24.62 CD :: 29.68 CE :: 42.09 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 :: 8.60 HA :: 3.84 HB2 :: 1.88 HB3 :: 1.70 HG2 :: 1.36 HG3 :: 1.47 HD2 :: 1.42 HD3 :: 1.72 HE3 :: 3.01 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 :: 117.03 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.39 C 0.05 L 0.03 V 0.02 I 0.01 T 0.01 HN Overlap>> A171 C Shift Assignments>> C :: 178.00 CA :: 55.05 CB :: 19.84 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.70 HA :: 3.88 HB :: 1.19 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.21 Ave N Shift Values>> N :: 123.23(3.7) A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.38 C 0.04 I 0.02 V 0.02 L 0.01 C Shift Assignments>> C :: 179.63 CA :: 55.20 CB :: 19.39 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.68 HA :: 3.51 HB :: 1.66 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.57 Ave N Shift Values>> N :: 123.23(3.7) L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.41 R 0.03 C Shift Assignments>> C :: 180.43 CA :: 57.23 CB :: 40.96 CG :: 26.86 CD1 :: 23.51 CD2 :: 25.68 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 :: 7.85 HA :: 4.04 HB2 :: 1.43 HB3 :: 1.83 HG :: 1.77 HD1 :: 0.87 HD2 :: 0.77 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 :: 115.80 Ave N Shift Values>> N :: 121.98(4.07) E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.25 K 0.05 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.72 CA :: 59.56 CB :: 29.33 CG :: 36.66 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 :: 8.32 HA :: 3.97 HB2 :: 2.19 HB3 :: 2.03 HG2 :: 2.51 HG3 :: 2.31 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 :: 121.77 Ave N Shift Values>> N :: 120.68(3.68) A75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.45 A 0.44 C 0.04 L 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 178.14 CA :: 54.87 CB :: 19.34 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.30 HA :: 2.85(S) HB :: 1.12 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.02 Ave N Shift Values>> N :: 123.23(3.7) Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.23 Q 0.18 R 0.08 E 0.06 P 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 178.10 CA :: 60.16 CB :: 28.63 CG :: 33.32 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 :: 8.22 HA :: 4.19 HB2 :: 2.28 HB3 :: 1.93 HG3 :: 2.25 HE21 :: 7.21 HE22 :: 6.74 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 :: 117.50 NE2 :: 110.25 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.2 F 0.2 D 0.12 N 0.08 L 0.05 I 0.04 E 0.03 C Shift Assignments>> C :: 177.25 CA :: 56.35 CB :: 39.08 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 :: 8.08 HA :: 4.38 HB2 :: 2.84 HB3 :: 2.74 HD21 :: 7.69 HD22 :: 6.89 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 :: 115.06 ND2 :: 113.33 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.34 C 0.05 L 0.04 V 0.01 C Shift Assignments>> C :: 174.05 CA :: 54.06 CB :: 20.13 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.74 HA :: 4.21 HB :: 1.45 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.35 Ave N Shift Values>> N :: 123.23(3.7) L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.3 C 0.27 HN Overlap>> T4 C Shift Assignments>> C :: 179.44 CA :: 56.74 CB :: 44.51 CG :: 26.35 CD2 :: 23.16 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 :: 8.00 HA :: 4.41 HB3 :: 1.31 HG :: 0.87 HD2 :: 0.88 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 :: 113.52 Ave N Shift Values>> N :: 121.98(4.07) H80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.14 R 0.11 E 0.1 V 0.1 K 0.09 M 0.08 H 0.07 Q 0.04 I 0.03 P 0.01 C Shift Assignments>> C :: 177.25 CA :: 59.26 CB :: 31.55 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 :: 8.66 HA :: 4.22 HB2 :: 3.35 HB3 :: 3.21 HD2 :: 6.92 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 :: 119.28 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.22 Y 0.13 D 0.1 F 0.09 E 0.06 M 0.02 L 0.02 I 0.01 C Shift Assignments>> C :: 174.64 CA :: 54.53 CB :: 37.99 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 :: 9.15 HA :: 3.98 HB2 :: 3.02 HB3 :: 2.39 HD21 :: 7.48 HD22 :: 6.79 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 :: 121.36 ND2 :: 111.01 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) M82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.26 E 0.25 Q 0.1 K 0.04 C Shift Assignments>> C :: 175.71 CA :: 55.77 CB :: 35.27 CG :: 31.54 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 :: 8.00 HA :: 4.79 HB2 :: 1.94 HB3 :: 1.85 HG3 :: 2.54 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 :: 115.99 Ave N Shift Values>> N :: 120.1(3.88) K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.19 R 0.17 K 0.14 M 0.01 C Shift Assignments>> C :: 173.27 CA :: 55.32 CB :: 34.76 CG :: 24.71 CD :: 28.70 CE :: 43.98 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 :: 7.43 HA :: 4.52 HB2 :: 1.85 HG3 :: 1.26 HD3 :: 1.68 HE2 :: 2.99 HE3 :: 2.89 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 :: 120.68 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.3 M 0.05 I 0.01 C Shift Assignments>> C :: 176.45 CA :: 61.51 CB :: 32.20 CG2 :: 21.45 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 :: 8.65 HA :: 4.09 HB :: 1.83 HG2 :: 0.62 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 :: 127.49 Ave N Shift Values>> N :: 121.02(4.96) L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.29 A 0.19 C Shift Assignments>> C :: 173.20 CA :: 53.66 CB :: 38.97 CG :: 27.33 CD1 :: 22.44 CD2 :: 25.49 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 :: 9.02 HA :: 4.40 HB2 :: 1.31 HB3 :: 0.73 HG :: 1.58 HD1 :: 0.83 HD2 :: 0.54 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 :: 130.04 Ave N Shift Values>> N :: 121.98(4.07) P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.43 CA :: 64.76 CB :: 31.60 CG :: 28.47 CD :: 50.87 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 :: 4.18 HB2 :: 2.31 HB3 :: 1.86 HG2 :: 2.37 HG3 :: 2.14 HD2 :: 3.83 HD3 :: 3.31 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) G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 173.80 CA :: 45.13 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.45 HA2 :: 3.57 HA3 :: 4.04 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.37 Ave N Shift Values>> N :: 109.91(4.29) M88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.2 H 0.12 K 0.1 R 0.09 W 0.07 P 0.06 Q 0.04 E 0.03 C Shift Assignments>> C :: 177.13 CA :: 52.56 CB :: 32.15 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 :: 7.74 HA :: 4.70 HB2 :: 2.02 HB3 :: 1.84 HG3 :: 2.32 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 :: 117.41 Ave N Shift Values>> N :: 120.1(3.88) H89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.13 Q 0.13 C 0.13 W 0.12 E 0.11 K 0.09 M 0.08 C Shift Assignments>> C :: 176.29 CA :: 55.06 CB :: 30.11 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 :: 8.10 HA :: 4.67 HB2 :: 3.06 HB3 :: 2.81 HD2 :: 7.31 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 :: 122.74 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 M 0.17 H 0.15 R 0.12 W 0.09 K 0.07 Q 0.06 E 0.04 P 0.03 C Shift Assignments>> CA :: 52.70 CB :: 31.24 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 :: 7.52 HA :: 4.93 HB2 :: 3.28 HB3 :: 2.73 HD2 :: 7.20 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 :: 117.21 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.4 C Shift Assignments>> CA :: 64.98 CB :: 34.17 CG :: 24.95 CD :: 50.08 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 :: 4.41 HB2 :: 2.32 HB3 :: 2.15 HG2 :: 1.93 HG3 :: 1.82 HD2 :: 3.62 HD3 :: 3.50 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) I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 174.77 CA :: 62.51 CB :: 39.63 CG1 :: 28.38 CG2 :: 18.31 CD1 :: 14.83 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 :: 8.46 HA :: 3.98 HB :: 1.81 HG2 :: 0.90 HG12 :: 1.88 HG13 :: 1.00 HD1 :: 0.80 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) Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.36 Q 0.12 E 0.03 K 0.02 C Shift Assignments>> C :: 175.10 CA :: 52.19 CB :: 31.93 CG :: 33.80 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 :: 7.37 HA :: 5.38 HB2 :: 2.17 HB3 :: 1.93 HG3 :: 2.45 HE21 :: 7.15 HE22 :: 7.02 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 :: 124.98 NE2 :: 115.17 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 M 0.23 E 0.17 C Shift Assignments>> C :: 173.31 CA :: 55.20 CB :: 36.48 CG :: 33.27 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 :: 5.78 HB2 :: 2.11 HB3 :: 1.77 HG2 :: 2.54 HG3 :: 2.47 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) K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.33 R 0.09 A 0.08 M 0.06 G 0.01 C Shift Assignments>> C :: 172.10 CA :: 53.44 CB :: 33.81 CG :: 22.88 CD :: 29.16 CE :: 42.05 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 :: 8.97 HA :: 4.78 HB3 :: 1.78 HG3 :: 1.37 HD3 :: 1.64 HE3 :: 2.86 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 :: 123.58 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.16 R 0.02 K 0.01 I 0.01 C Shift Assignments>> C :: 177.04 CA :: 64.09 CB :: 31.93 CG :: 28.47 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 :: 4.68 HB2 :: 2.31 HB3 :: 1.92 HG2 :: 2.27 HG3 :: 1.93 HD2 :: 3.32 HD3 :: 3.39 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) A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.23 C 0.03 L 0.01 C Shift Assignments>> C :: 177.37 CA :: 52.96 CB :: 19.63 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.99 HA :: 4.38 HB :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.60 Ave N Shift Values>> N :: 123.23(3.7) D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.2 K 0.13 C 0.1 N 0.08 F 0.08 Y 0.07 R 0.04 C Shift Assignments>> C :: 176.41 CA :: 54.40 CB :: 41.27 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 :: 8.59 HA :: 4.59 HB2 :: 2.61 HB3 :: 2.71 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 :: 119.56 Ave N Shift Values>> N :: 120.73(4.2) S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.81 CA :: 58.87 CB :: 63.80 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.22 HA :: 4.36 HB2 :: 3.91 HB3 :: 3.82 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 :: 115.68 Ave N Shift Values>> N :: 116.3(3.95) E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.1 M 0.08 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.62 CA :: 56.72 CB :: 29.96 CG :: 36.06 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 :: 8.41 HA :: 4.25 HB2 :: 2.04 HB3 :: 1.91 HG2 :: 2.21 HG3 :: 2.14 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 :: 122.57 Ave N Shift Values>> N :: 120.68(3.68) K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 R 0.22 K 0.06 G 0.02 V 0.02 C Shift Assignments>> C :: 176.37 CA :: 56.59 CB :: 32.88 CG :: 24.05 CD :: 24.70 CE :: 42.33 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 :: 8.18 HA :: 4.26 HB2 :: 1.71 HB3 :: 1.85 HG3 :: 1.44 HD3 :: 1.38 HE3 :: 2.96 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 :: 121.40 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.19 C 0.16 Y 0.08 F 0.07 L 0.04 E 0.01 HN Overlap>> V126 C Shift Assignments>> C :: 174.95 CA :: 53.34 CB :: 38.87 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 :: 8.36 HA :: 4.68 HB2 :: 2.82 HB3 :: 2.71 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 :: 119.12 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.19 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.13 CA :: 53.51 CB :: 38.82 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 :: 8.37 HA :: 4.68 HB2 :: 2.81 HB3 :: 2.71 HD21 :: 7.62 HD22 :: 6.91 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 :: 119.53 ND2 :: 112.75 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 178.44 CA :: 53.03 CB :: 19.03 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.30 HA :: 4.31 HB :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.43 Ave N Shift Values>> N :: 123.23(3.7) V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.77 CA :: 63.76 CB :: 32.31 CG1 :: 21.46 CG2 :: 21.16 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 :: 8.14 HA :: 3.89 HB :: 2.04 HG1 :: 0.94 HG2 :: 0.89 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 :: 119.72 Ave N Shift Values>> N :: 121.02(4.96) E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 I 0.14 K 0.07 M 0.03 Q 0.02 C Shift Assignments>> C :: 177.06 CA :: 58.13 CB :: 29.49 CG :: 36.62 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 :: 8.37 HA :: 4.09 HB2 :: 2.08 HB3 :: 1.96 HG3 :: 2.27 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 :: 120.17 Ave N Shift Values>> N :: 120.68(3.68) D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.15 C 0.11 F 0.09 Y 0.08 N 0.06 R 0.04 C Shift Assignments>> C :: 175.35 CA :: 54.89 CB :: 41.24 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 :: 7.79 HA :: 4.39 HB3 :: 2.65 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 :: 118.04 Ave N Shift Values>> N :: 120.73(4.2) R108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.33 G 0.21 L 0.02 K 0.02 C Shift Assignments>> C :: 172.38 CA :: 55.12 CB :: 30.11 CG :: 26.81 CD :: 44.20 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 :: 8.11 HA :: 4.71 HB2 :: 1.96 HB3 :: 1.62 HG2 :: 1.73 HG3 :: 1.46 HD2 :: 3.12 HD3 :: 2.98 HE :: 6.92 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 :: 114.67 NE :: 85.21 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.34 R 0.14 M 0.03 HN Overlap>> Q57 C Shift Assignments>> C :: 174.88 CA :: 55.30 CB :: 35.88 CG :: 24.68 CD :: 29.75 CE :: 41.47 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 :: 7.49 HA :: 5.13 HB2 :: 1.87 HB3 :: 1.72 HG2 :: 1.45 HG3 :: 1.14 HD3 :: 1.37 HE3 :: 2.44 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 :: 121.48 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.33 C 0.19 R 0.06 C Shift Assignments>> C :: 176.65 CA :: 53.14 CB :: 44.21 CG :: 26.85 CD1 :: 24.52 CD2 :: 26.56 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 :: 9.64 HA :: 5.00 HB2 :: 1.68 HB3 :: 1.09 HG :: 0.79 HD1 :: 0.22 HD2 :: 1.66 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 :: 125.65 Ave N Shift Values>> N :: 121.98(4.07) F111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.37 Y 0.36 C 0.25 C Shift Assignments>> C :: 172.35 CA :: 57.54 CB :: 40.96 CD1 :: 132.09 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 :: 9.33 HA :: 4.61 HB2 :: 3.12 HB3 :: 2.65 HD1 :: 6.83 HE1 :: 7.07 HZ :: 7.22 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 :: 122.71 Ave N Shift Values>> N :: 120.69(4.18) I112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.39 A 0.07 C Shift Assignments>> C :: 174.81 CA :: 57.39 CB :: 37.89 CG1 :: 27.36 CG2 :: 18.85 CD1 :: 13.91 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 :: 8.09 HA :: 4.92 HB :: 1.38 HG2 :: 0.68 HG13 :: 0.82 HD1 :: 0.10 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 :: 127.57 Ave N Shift Values>> N :: 121.6(4.72) G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.08 C 0.08 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.22 CA :: 43.41 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.37 HA2 :: 4.47 HA3 :: 3.49 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.96 Ave N Shift Values>> N :: 109.91(4.29) M114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 Q 0.25 C 0.23 R 0.1 M 0.08 E 0.04 C Shift Assignments>> C :: 174.84 CA :: 55.30 CB :: 28.86 CG :: 33.02 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 :: 8.83 HA :: 4.23 HB2 :: 2.42 HB3 :: 1.99 HG2 :: 2.71 HG3 :: 2.48 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 :: 114.79 Ave N Shift Values>> N :: 120.1(3.88) I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.42 A 0.02 C Shift Assignments>> C :: 176.03 CA :: 58.61 CB :: 40.13 CG1 :: 25.12 CG2 :: 18.87 CD1 :: 14.83 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 :: 7.06 HA :: 4.72 HB :: 1.72 HG2 :: 0.63 HG12 :: 0.43 HG13 :: 0.97 HD1 :: 0.45 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 :: 107.77 Ave N Shift Values>> N :: 121.6(4.72) S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.69 CA :: 57.59 CB :: 63.88 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.22 HA :: 4.33 HB2 :: 4.32 HB3 :: 4.06 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 :: 115.63 Ave N Shift Values>> N :: 116.3(3.95) K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.31 R 0.29 G 0.01 C Shift Assignments>> C :: 176.02 CA :: 59.02 CB :: 32.13 CG :: 26.36 CD :: 29.23 CE :: 42.32 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 :: 9.13 HA :: 3.94 HB2 :: 2.06 HB3 :: 1.75 HG2 :: 1.61 HG3 :: 1.19 HD3 :: 1.69 HE3 :: 2.91 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 :: 127.89 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.2 M 0.03 G 0.01 C Shift Assignments>> C :: 177.51 CA :: 56.31 CB :: 32.95 CG :: 25.09 CD :: 29.23 CE :: 42.23 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 :: 8.02 HA :: 4.30 HB2 :: 1.89 HB3 :: 1.69 HG3 :: 1.40 HD3 :: 1.64 HE3 :: 2.98 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 :: 115.72 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 C 0.14 W 0.1 R 0.1 P 0.07 K 0.06 E 0.05 Q 0.05 H 0.04 L 0.01 V 0.01 HN Overlap>> F131 C Shift Assignments>> C :: 175.42 CA :: 60.64 CB :: 27.86 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.18 HA :: 4.54 HB2 :: 2.89 HB3 :: 2.78 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.27 Ave N Shift Values>> N :: 119.95(4.79) T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.33 C Shift Assignments>> C :: 175.50 CA :: 60.20 CB :: 72.80 CG2 :: 21.66 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 :: 9.39 HA :: 4.51 HB :: 4.70 HG2 :: 1.34 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 :: 116.76 Ave N Shift Values>> N :: 115.7(5.05) E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.25 E 0.03 C Shift Assignments>> C :: 178.56 CA :: 61.77 CB :: 28.86 CG :: 38.85 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 :: 9.56 HA :: 3.63 HB2 :: 2.19 HB3 :: 1.92 HG2 :: 2.66 HG3 :: 2.28 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 :: 121.64 Ave N Shift Values>> N :: 120.68(3.68) N122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.19 E 0.07 I 0.06 D 0.06 N 0.06 L 0.02 M 0.01 C Shift Assignments>> C :: 176.70 CA :: 56.83 CB :: 38.50 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 :: 8.36 HA :: 4.37 HB3 :: 2.71 HD21 :: 7.79 HD22 :: 7.00 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 :: 116.45 ND2 :: 114.54 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) D123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 K 0.17 Y 0.17 C 0.14 L 0.12 D 0.08 I 0.04 R 0.04 C Shift Assignments>> C :: 179.16 CA :: 57.62 CB :: 41.03 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 :: 7.53 HA :: 4.33 HB2 :: 3.05 HB3 :: 2.71 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 :: 118.34 Ave N Shift Values>> N :: 120.73(4.2) I124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 I 0.32 C Shift Assignments>> C :: 177.80 CA :: 62.06 CB :: 35.45 CG1 :: 27.29 CG2 :: 18.78 CD1 :: 9.44 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 :: 7.58 HA :: 3.94 HB :: 1.95 HG2 :: 0.62 HG12 :: 1.48 HG13 :: 1.00 HD1 :: 0.61 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 :: 119.36 Ave N Shift Values>> N :: 121.6(4.72) R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.33 K 0.11 G 0.1 HN Overlap>> A159 E175 C Shift Assignments>> C :: 179.41 CA :: 60.77 CB :: 30.17 CG :: 29.40 CD :: 43.10 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 :: 8.54 HA :: 3.81 HB2 :: 2.00 HB3 :: 1.93 HG2 :: 1.73 HG3 :: 1.42 HD2 :: 3.26 HD3 :: 3.16 HE :: 7.76 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 :: 121.53 NE :: 84.80 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> N102 C Shift Assignments>> C :: 179.14 CA :: 66.67 CB :: 31.78 CG1 :: 20.98 CG2 :: 23.02 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 :: 8.36 HA :: 3.68 HB :: 2.16 HG1 :: 0.93 HG2 :: 1.08 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 :: 119.12 Ave N Shift Values>> N :: 121.02(4.96) M127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.24 M 0.2 Q 0.11 K 0.03 I 0.02 C Shift Assignments>> C :: 177.62 CA :: 58.98 CB :: 34.86 CG :: 31.65 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 :: 7.69 HA :: 4.05 HB2 :: 2.36 HB3 :: 2.02 HG2 :: 2.60 HG3 :: 2.25 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 :: 118.69 Ave N Shift Values>> N :: 120.1(3.88) F128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 I 0.24 Y 0.23 C 0.17 K 0.02 L 0.02 C Shift Assignments>> C :: 176.72 CA :: 60.16 CB :: 40.10 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 :: 8.17 HA :: 4.84 HB2 :: 2.92 HB3 :: 3.60 HD1 :: 7.69 HE1 :: 7.07 HZ :: 7.27 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 :: 113.62 Ave N Shift Values>> N :: 120.69(4.18) S129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.53 CA :: 61.95 CB :: 63.22 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.25 HA :: 4.50 HB2 :: 4.24 HB3 :: 4.11 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 :: 117.25 Ave N Shift Values>> N :: 116.3(3.95) S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.01 CA :: 60.20 CB :: 62.57 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.71 HA :: 4.08 HB2 :: 3.32 HB3 :: 3.08 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 :: 114.86 Ave N Shift Values>> N :: 116.3(3.95) F131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.11 D 0.04 L 0.03 E 0.03 N 0.01 HN Overlap>> C119 C Shift Assignments>> C :: 174.45 CA :: 57.98 CB :: 39.17 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 :: 7.26 HA :: 4.51 HB2 :: 3.23 HB3 :: 2.76 HD1 :: 7.29 HE1 :: 7.14 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 :: 117.19 Ave N Shift Values>> N :: 120.69(4.18) G132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.88 CA :: 44.77 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.43 HA2 :: 4.61 HA3 :: 4.01 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.47 Ave N Shift Values>> N :: 109.91(4.29) Q133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.21 E 0.13 M 0.1 R 0.03 C Shift Assignments>> C :: 174.47 CA :: 55.74 CB :: 29.64 CG :: 34.04 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 :: 7.78 HA :: 4.48 HB3 :: 2.19 HG3 :: 2.30 HE21 :: 7.60 HE22 :: 6.90 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 :: 120.00 NE2 :: 112.68 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.28 CA :: 61.34 CB :: 39.08 CG1 :: 28.49 CG2 :: 17.62 CD1 :: 14.73 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 :: 8.61 HA :: 3.88 HB :: 1.58 HG2 :: 0.49 HG13 :: 0.68 HD1 :: -0.02 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 :: 126.87 Ave N Shift Values>> N :: 121.6(4.72) E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 M 0.19 Q 0.04 K 0.02 I 0.02 C Shift Assignments>> C :: 176.11 CA :: 57.01 CB :: 31.52 CG :: 36.04 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 :: 8.92 HA :: 4.30 HB2 :: 1.82 HB3 :: 1.64 HG2 :: 2.01 HG3 :: 2.11 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 :: 128.93 Ave N Shift Values>> N :: 120.68(3.68) E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.2 E 0.18 C Shift Assignments>> C :: 173.55 CA :: 55.74 CB :: 33.31 CG :: 36.65 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 :: 7.25 HA :: 4.41 HB2 :: 1.98 HB3 :: 1.81 HG2 :: 2.01 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 :: 116.50 Ave N Shift Values>> N :: 120.68(3.68) C137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 K 0.13 Q 0.13 C 0.11 H 0.1 W 0.09 L 0.09 E 0.08 I 0.05 M 0.01 HN Overlap>> R138 C Shift Assignments>> C :: 171.98 CA :: 57.31 CB :: 27.84 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.85 HA :: 5.07 HB2 :: 2.68 HB3 :: 2.50 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 126.48 Ave N Shift Values>> N :: 119.95(4.79) R138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.19 R 0.16 K 0.08 HN Overlap>> C137 C Shift Assignments>> C :: 174.59 CA :: 54.66 CB :: 34.39 CG :: 26.89 CD :: 43.72 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 :: 8.78 HA :: 4.97 HB2 :: 1.84 HB3 :: 1.72 HG2 :: 1.63 HG3 :: 1.54 HD3 :: 3.23 HE :: 7.23 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 :: 126.49 NE :: 84.72 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 176.22 CA :: 59.76 CB :: 38.66 CG1 :: 28.86 CG2 :: 17.05 CD1 :: 11.56 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 :: 8.78 HA :: 4.25 HB :: 1.81 HG2 :: 0.91 HG12 :: 1.08 HG13 :: 1.33 HD1 :: 0.53 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 :: 124.91 Ave N Shift Values>> N :: 121.6(4.72) L140 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.38 R 0.04 L 0.01 HN Overlap>> Y43 C Shift Assignments>> C :: 175.32 CA :: 56.13 CB :: 41.04 CG :: 24.33 CD2 :: 28.64(M) 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 :: 8.27 HA :: 4.43 HB3 :: 1.64 HG :: 0.98 HD2 :: 1.64 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 :: 129.44 Ave N Shift Values>> N :: 121.98(4.07) R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.37 R 0.17 G 0.04 C Shift Assignments>> C :: 177.36 CA :: 54.73 CB :: 33.95 CG :: 28.43 CD :: 42.81 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 :: 8.42 HA :: 5.06 HB2 :: 1.63 HB3 :: 1.47 HG2 :: 1.64 HG3 :: 1.24 HD3 :: 3.16 HE :: 7.46 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 :: 123.02 NE :: 85.49 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.22 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.38 HA2 :: 4.58 HA3 :: 4.21 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.03 Ave N Shift Values>> N :: 109.91(4.29) P143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 C 0.08 C Shift Assignments>> C :: 176.42 CA :: 65.01 CB :: 31.51 CG :: 27.40 CD :: 49.86 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 :: 4.42 HB2 :: 2.38 HB3 :: 2.02 HG3 :: 2.08 HD2 :: 3.79 HD3 :: 3.71 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) D144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.3 C 0.12 L 0.09 F 0.06 Y 0.06 K 0.02 C Shift Assignments>> C :: 176.83 CA :: 52.85 CB :: 40.14 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 :: 7.85 HA :: 4.49 HB2 :: 2.99 HB3 :: 2.67 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 :: 115.17 Ave N Shift Values>> N :: 120.73(4.2) G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 174.07 CA :: 45.26 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.32 HA2 :: 4.25 HA3 :: 3.70 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.75 Ave N Shift Values>> N :: 109.91(4.29) L146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.26 A 0.07 R 0.03 C Shift Assignments>> C :: 177.61 CA :: 54.27 CB :: 41.55 CG :: 27.29 CD1 :: 24.84 CD2 :: 22.70 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 :: 7.85 HA :: 4.47 HB2 :: 1.80 HB3 :: 1.52 HG :: 1.46 HD1 :: 0.88 HD2 :: 0.83 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 :: 121.96 Ave N Shift Values>> N :: 121.98(4.07) S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.48 CA :: 58.33 CB :: 64.36 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.77 HA :: 4.34 HB2 :: 4.03 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 :: 115.64 Ave N Shift Values>> N :: 116.3(3.95) R148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.18 G 0.05 C Shift Assignments>> C :: 177.47 CA :: 55.88 CB :: 31.25 CG :: 27.62 CD :: 43.20 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 :: 9.16 HA :: 4.37 HB2 :: 2.22 HB3 :: 1.55 HG3 :: 1.60 HD2 :: 3.04 HD3 :: 3.18 HE :: 7.77 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 :: 124.32 NE :: 84.11 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 172.13 CA :: 46.06 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.16 HA2 :: 4.20 HA3 :: 3.13 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.83 Ave N Shift Values>> N :: 109.91(4.29) C150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.26 R 0.17 C 0.14 D 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 171.19 CA :: 55.44 CB :: 44.59 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.22 HA :: 5.12 HB2 :: 3.50 HB3 :: 2.79 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 111.96 Ave N Shift Values>> N :: 119.95(4.79) A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.32 L 0.29 C 0.21 K 0.07 A 0.02 M 0.02 R 0.02 HN Overlap>> K184 C Shift Assignments>> C :: 173.51 CA :: 50.28 CB :: 24.32 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.90 HA :: 4.97 HB :: 0.96 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.26 Ave N Shift Values>> N :: 123.23(3.7) F152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 F 0.24 Y 0.19 G 0.18 C Shift Assignments>> C :: 176.49 CA :: 55.92 CB :: 43.38 CZ :: 130.62 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 :: 8.64 HA :: 5.82 HB2 :: 2.94 HB3 :: 2.61 HD1 :: 7.20 HE1 :: 7.57 HZ :: 7.53 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 :: 113.52 Ave N Shift Values>> N :: 120.69(4.18) V153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 C Shift Assignments>> C :: 173.77 CA :: 60.69 CB :: 36.03 CG1 :: 22.22 CG2 :: 22.37 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 :: 8.57 HA :: 4.52 HB :: 1.32 HG1 :: 0.17 HG2 :: 0.36 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 :: 121.78 Ave N Shift Values>> N :: 121.02(4.96) T154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.84 CA :: 61.04 CB :: 69.83 CG2 :: 22.37 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 :: 8.78 HA :: 5.12 HB :: 3.85 HG2 :: 1.17 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 :: 123.68 Ave N Shift Values>> N :: 115.7(5.05) F155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 C 0.29 Y 0.24 F 0.12 C Shift Assignments>> C :: 176.56 CA :: 57.93 CB :: 44.08 CE1 :: 129.45 CZ :: 131.52 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 :: 8.55 HA :: 5.47 HB2 :: 3.59 HB3 :: 2.94 HD1 :: 7.08 HE1 :: 7.13 HZ :: 7.68 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 :: 126.66 Ave N Shift Values>> N :: 120.69(4.18) T156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.53 CA :: 66.28 CB :: 69.12 CG2 :: 23.28 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 :: 8.52 HA :: 4.12 HB :: 4.22 HG2 :: 1.31 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 :: 111.85 Ave N Shift Values>> N :: 115.7(5.05) T157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.57 C 0.41 A 0.01 C Shift Assignments>> C :: 174.11 CA :: 59.16 CB :: 72.71 CG2 :: 21.52 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 :: 7.69 HA :: 4.96 HB :: 4.70 HG2 :: 1.32 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 :: 107.84 Ave N Shift Values>> N :: 115.7(5.05) R158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.37 G 0.18 K 0.04 C Shift Assignments>> C :: 177.65 CA :: 59.40 CB :: 30.00 CG :: 28.55 CD :: 43.96 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 :: 9.13 HA :: 4.12 HB3 :: 1.80 HG2 :: 2.00 HG3 :: 1.58 HD3 :: 3.12 HE :: 7.08 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 :: 123.08 NE :: 85.08 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.29 I 0.05 C 0.03 V 0.01 HN Overlap>> R125 C Shift Assignments>> C :: 181.02 CA :: 55.62 CB :: 18.19 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.45 HA :: 4.28 HB :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.50 Ave N Shift Values>> N :: 123.23(3.7) M160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.22 Q 0.14 E 0.11 K 0.02 C Shift Assignments>> C :: 176.53 CA :: 59.05 CB :: 32.38 CG :: 33.72 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 :: 7.49 HA :: 3.87 HB2 :: 1.96 HB3 :: 1.58 HG2 :: 2.74 HG3 :: 3.02 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 :: 117.94 Ave N Shift Values>> N :: 120.1(3.88) A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.02 C Shift Assignments>> C :: 178.55 CA :: 54.98 CB :: 18.10 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.78 HA :: 3.55 HB :: 1.62 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.82 Ave N Shift Values>> N :: 123.23(3.7) Q162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.21 K 0.18 Q 0.18 I 0.06 M 0.03 R 0.02 C Shift Assignments>> C :: 179.02 CA :: 59.13 CB :: 29.14 CG :: 34.68 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 :: 8.71 HA :: 3.90 HB2 :: 2.33 HB3 :: 2.14 HG2 :: 2.61 HG3 :: 2.53 HE21 :: 7.43 HE22 :: 6.97 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 :: 115.84 NE2 :: 111.73 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> Q10 C Shift Assignments>> C :: 175.86 CA :: 66.43 CB :: 68.44 CG2 :: 22.14 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 :: 7.89 HA :: 3.77 HB :: 4.40 HG2 :: 1.38 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 :: 117.52 Ave N Shift Values>> N :: 115.7(5.05) A164 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.49 M 0.43 C 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 178.90 CA :: 54.59 CB :: 19.05 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.49 HA :: 2.53(S) HB :: 1.22 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.20 Ave N Shift Values>> N :: 123.23(3.7) I165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 178.08 CA :: 66.10 CB :: 39.07 CG1 :: 29.53 CG2 :: 16.82 CD1 :: 14.49 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 :: 7.74 HA :: 3.20 HB :: 1.57 HG2 :: 0.78 HG12 :: 1.40 HG13 :: 0.31 HD1 :: -0.02 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 :: 117.84 Ave N Shift Values>> N :: 121.6(4.72) K166 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.34 M 0.03 G 0.02 HN Overlap>> A167 C Shift Assignments>> C :: 178.51 CA :: 58.91 CB :: 32.24 CG :: 29.23(S) CD :: 25.02 CE :: 42.28 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 :: 7.35 HA :: 3.94 HB2 :: 1.85 HG3 :: 1.70 HD2 :: 1.53 HD3 :: 1.46 HE3 :: 2.98 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 :: 117.04 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) A167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 M 0.27 L 0.26 C 0.1 V 0.01 K 0.01 T 0.01 HN Overlap>> K166 C Shift Assignments>> C :: 179.49 CA :: 53.99 CB :: 21.57 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.42 HA :: 4.21 HB :: 1.22 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.06 Ave N Shift Values>> N :: 123.23(3.7) M168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.22 Q 0.19 K 0.15 E 0.05 H 0.04 W 0.03 R 0.03 N 0.01 C Shift Assignments>> C :: 178.30 CA :: 54.30 CB :: 33.99 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 :: 7.88 HA :: 4.83 HB2 :: 2.08 HB3 :: 1.97 HG2 :: 2.16 HG3 :: 2.03 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 :: 111.41 Ave N Shift Values>> N :: 120.1(3.88) H169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.16 W 0.16 E 0.11 V 0.11 R 0.1 I 0.09 H 0.07 Q 0.05 K 0.04 M 0.04 P 0.02 C Shift Assignments>> C :: 176.70 CA :: 60.07 CB :: 30.73 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 :: 4.42 HB2 :: 3.55 HB3 :: 3.21 HD2 :: 6.99 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) Q170 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.34 K 0.22 Q 0.2 R 0.14 E 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 175.70 CA :: 57.32 CB :: 26.50 CG :: 33.47 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 :: 8.67 HA :: 3.87 HB2 :: 1.97 HG3 :: 1.21(S) HE21 :: 6.89 HE22 :: 6.72 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 :: 121.70 NE2 :: 112.56 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.37 L 0.06 C 0.06 V 0.01 T 0.01 HN Overlap>> A71 C Shift Assignments>> C :: 177.21 CA :: 54.47 CB :: 20.34 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.78 HA :: 4.21 HB :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.13 Ave N Shift Values>> N :: 123.23(3.7) Q172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.31 Q 0.15 K 0.05 E 0.03 C Shift Assignments>> C :: 173.47 CA :: 54.15 CB :: 31.84 CG :: 33.01 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 :: 7.47 HA :: 4.63 HB2 :: 2.12 HB3 :: 1.93 HG2 :: 1.91 HG3 :: 2.26 HE21 :: 7.51 HE22 :: 6.73 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 :: 111.25 NE2 :: 112.69 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) T173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.99 CA :: 61.65 CB :: 69.21 CG2 :: 20.86 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 :: 8.64 HA :: 4.65 HB :: 3.78 HG2 :: 0.91 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 :: 119.03 Ave N Shift Values>> N :: 115.7(5.05) M174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.32 E 0.12 Q 0.06 C Shift Assignments>> C :: 175.19 CA :: 56.62 CB :: 34.79 CG :: 33.45 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 :: 9.77 HA :: 4.32 HB2 :: 2.25 HB3 :: 2.09 HG2 :: 2.43 HG3 :: 2.73 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 :: 127.37 Ave N Shift Values>> N :: 120.1(3.88) E175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.31 K 0.12 Q 0.09 I 0.08 M 0.05 HN Overlap>> R125 C Shift Assignments>> C :: 177.34 CA :: 58.06 CB :: 29.61 CG :: 35.75 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 :: 8.57 HA :: 4.02 HB2 :: 2.06 HB3 :: 1.95 HG2 :: 2.22 HG3 :: 2.33 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 :: 121.43 Ave N Shift Values>> N :: 120.68(3.68) G176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.68 CA :: 45.58 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.82 HA2 :: 4.20 HA3 :: 3.74 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.44 Ave N Shift Values>> N :: 109.91(4.29) C177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.13 R 0.13 H 0.11 Q 0.09 K 0.07 M 0.05 I 0.04 V 0.03 C Shift Assignments>> C :: 174.77 CA :: 58.55 CB :: 30.30 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.92 HA :: 4.71 HB2 :: 3.21 HB3 :: 2.91 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 118.80 Ave N Shift Values>> N :: 119.95(4.79) S178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.44 CA :: 58.72 CB :: 64.05 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.69 HA :: 4.45 HB2 :: 3.99 HB3 :: 3.85 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 :: 114.92 Ave N Shift Values>> N :: 116.3(3.95) S179 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 182.20(M) CA :: 56.51 CB :: 64.31 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.48 HA :: 4.97 HB2 :: 3.95 HB3 :: 3.80 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 :: 116.42 Ave N Shift Values>> N :: 116.3(3.95) P180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 174.63 CA :: 62.69 CB :: 33.05 CG :: 27.21 CD :: 51.30 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 :: 4.60 HB2 :: 1.85 HB3 :: 1.44 HG2 :: 1.78 HG3 :: 1.72 HD2 :: 3.80 HD3 :: 3.59 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) M181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.29 M 0.21 Q 0.09 K 0.04 I 0.01 C Shift Assignments>> C :: 175.18 CA :: 56.90 CB :: 35.45 CG :: 31.38 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 :: 8.21 HA :: 4.41 HB2 :: 2.02 HG2 :: 2.51 HG3 :: 2.66 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 :: 119.34 Ave N Shift Values>> N :: 120.1(3.88) V182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 C 0.49 C Shift Assignments>> C :: 175.10 CA :: 60.71 CB :: 35.50 CG1 :: 21.37 CG2 :: 20.77 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 :: 8.20 HA :: 4.75 HB :: 1.78 HG1 :: 1.16 HG2 :: 1.16 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 :: 126.26 Ave N Shift Values>> N :: 121.02(4.96) V183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 173.20 CA :: 61.58 CB :: 34.46 CG1 :: 23.57 CG2 :: 21.99 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 :: 5.01 HB :: 2.04 HG1 :: 0.81 HG2 :: 1.08 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) K184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 K 0.13 M 0.13 A 0.06 HN Overlap>> A151 C Shift Assignments>> C :: 174.55 CA :: 53.79 CB :: 35.86 CG :: 23.34 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 :: 8.80 HA :: 4.58 HB2 :: 1.86 HB3 :: 1.66 HG2 :: 1.38 HG3 :: 1.29 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 :: 121.25 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) F185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.37 C 0.24 C Shift Assignments>> C :: 177.16 CA :: 61.43 CB :: 38.78 CD1 :: 131.72 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 :: 8.29 HA :: 4.67 HB2 :: 3.42 HB3 :: 2.77 HD1 :: 7.30 HE1 :: 7.20 HZ :: 6.98 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 :: 119.90 Ave N Shift Values>> N :: 120.69(4.18) A186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 178.03 CA :: 54.15 CB :: 18.72 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.97 HA :: 4.25 HB :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.71 Ave N Shift Values>> N :: 123.23(3.7) D187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.17 N 0.15 C 0.11 K 0.08 F 0.06 Y 0.05 R 0.02 C Shift Assignments>> C :: 176.90 CA :: 53.11 CB :: 41.14 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 :: 8.37 HA :: 4.76 HB2 :: 3.02 HB3 :: 2.59 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 :: 122.21 Ave N Shift Values>> N :: 120.73(4.2) ########################################################################### Overall Results: #Consistent: 179 #Clerical: 0 #Suspicious: 6 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 187 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 187 #Suspicious: 0 C Shift Results: #Consistent: 744 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 2 H Shift Results: #Consistent:1001 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 201 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: K17 CD = 34.08(S), Expected = 28.78, Std = 1.3900, ChiSquare = 1.3732e-04 Y43 HB3 = 1.13(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.5032e-06 A75 HA = 2.85(S), Expected = 4.26, Std = 0.4200, ChiSquare = 7.8752e-04 L140 CD2 = 28.64(M), Expected = 24.10, Std = 1.7800, ChiSquare = 1.0755e-02 A164 HA = 2.53(S), Expected = 4.26, Std = 0.4200, ChiSquare = 3.8044e-05 K166 CG = 29.23(S), Expected = 24.91, Std = 1.3100, ChiSquare = 9.7477e-04 Q170 HG3 = 1.21(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.2941e-04 S179 C = 182.20(M), Expected = 174.53, Std = 1.7300, ChiSquare = 9.2704e-06