M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.37 A 0.2 C Shift Assignments>> C :: 174.9 CA :: 55.53 CB :: 33.31 CG :: 32.01 CE :: 19.60 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 :: 8.10 HA :: 4.47 HB2 :: 2.07 HB3 :: 1.98 HG2 :: 2.54 HG3 :: 2.48 HE :: 1.51 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 120.7 Ave N Shift Values>> N :: 120.1(3.88) A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.03 C Shift Assignments>> C :: 175.7 CA :: 52.49 CB :: 19.86 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.36 HA :: 4.33 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 :: 126.6 Ave N Shift Values>> N :: 123.23(3.7) C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.18 C 0.15 F 0.12 Y 0.11 K 0.07 C Shift Assignments>> C :: 174.9 CA :: 54.44 CB :: 40.45 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.94 HA :: 5.04 HB2 :: 3.08 HB3 :: 2.59 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 :: 115.3 Ave N Shift Values>> N :: 119.95(4.79) W4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 180.5 CA :: 59.66 CB :: 28.47 CD1 :: 128.5 CE3 :: 119.5 CZ2 :: 114.3 CZ3 :: 122.1 CH2 :: 123.8 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 :: 9.21 HA :: 4.45 HB2 :: 3.48 HB3 :: 3.25 HD1 :: 7.29 HE1 :: 9.47 HE3 :: 6.98 HZ2 :: 7.24 HZ3 :: 6.46 HH2 :: 4.93 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 :: 129.1 NE1 :: 127.9 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A5 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.49 A 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 178.5 CA :: 54.33 CB :: 17.64 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 5.80(S) HA :: 3.73 HB :: 0.11(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.7 Ave N Shift Values>> N :: 123.23(3.7) Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.23 K 0.23 E 0.15 I 0.04 M 0.02 C Shift Assignments>> C :: 180.2 CA :: 58.80 CB :: 28.54 CG :: 34.25 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 :: 7.26 HA :: 4.46 HB2 :: 2.05 HB3 :: 2.12 HG2 :: 2.41 HG3 :: 2.41 HE21 :: 7.39 HE22 :: 6.83 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 :: 122.7 NE2 :: 111.7 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.1 CA :: 60.98 CB :: 62.71 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.12 HA :: 4.32 HB2 :: 4.09 HB3 :: 4.09 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 :: 115.9 Ave N Shift Values>> N :: 116.3(3.95) Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.22 M 0.2 E 0.17 K 0.12 C Shift Assignments>> C :: 175.6 CA :: 55.07 CB :: 30.60 CG :: 34.48 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 :: 7.66 HA :: 4.68 HB2 :: 2.31 HB3 :: 2.81 HG2 :: 2.60 HG3 :: 2.60 HE21 :: 7.11 HE22 :: 7.77 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.1 NE2 :: 110.9 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 C 0.09 C Shift Assignments>> C :: 173.6 CA :: 45.25 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.74 HA2 :: 4.02 HA3 :: 3.64 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.5 Ave N Shift Values>> N :: 109.91(4.29) Y10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.39 G 0.07 C Shift Assignments>> C :: 173.9 CA :: 57.11 CB :: 42.89 CD1 :: 133.5 CD2 :: 133.5 CE1 :: 118.1 CE2 :: 118.1 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 :: 7.45 HA :: 4.74 HB2 :: 3.32 HB3 :: 2.49 HD1 :: 7.18 HD2 :: 7.18 HE1 :: 6.83 HE2 :: 6.83 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 :: 118.4 Ave N Shift Values>> N :: 120.79(4.69) N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.3 C 0.14 F 0.05 Y 0.05 K 0.01 C Shift Assignments>> C :: 176.2 CA :: 52.35 CB :: 39.83 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 :: 8.72 HA :: 4.68 HB2 :: 2.77 HB3 :: 2.54 HD21 :: 7.52 HD22 :: 6.93 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 :: 115.6 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.22 C 0.14 F 0.1 Y 0.09 K 0.06 C Shift Assignments>> C :: 175.6 CA :: 53.90 CB :: 40.43 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.36 HA :: 4.94 HB2 :: 1.61 HB3 :: 2.97 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 :: 117.1 Ave N Shift Values>> N :: 119.95(4.79) C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.21 C 0.16 Y 0.09 F 0.07 E 0.01 C Shift Assignments>> C :: 175.3 CA :: 53.36 CB :: 38.99 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.45 HA :: 4.17 HB2 :: 1.88 HB3 :: 3.10 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 :: 121.2 Ave N Shift Values>> N :: 119.95(4.79) N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.23 C 0.17 Y 0.11 F 0.1 E 0.01 HN Overlap>> W76 C Shift Assignments>> C :: 175.3 CA :: 54.05 CB :: 39.16 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 :: 9.40 HA :: 4.62 HB2 :: 2.64 HB3 :: 2.64 HD21 :: 7.06 HD22 :: 7.58 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.0 ND2 :: 114.0 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.22 D 0.08 Y 0.07 F 0.04 E 0.04 M 0.02 C Shift Assignments>> C :: 174.4 CA :: 53.06 CB :: 37.62 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 :: 8.99 HA :: 4.63 HB2 :: 2.87 HB3 :: 2.70 HD21 :: 7.57 HD22 :: 6.83 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 :: 115.2 ND2 :: 113.2 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 177.8 CA :: 65.23 CB :: 31.83 CG :: 27.72 CD :: 51.42 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 :: 3.81 HB2 :: 1.42 HB3 :: 2.03 HG2 :: 2.41 HG3 :: 2.41 HD2 :: 3.86 HD3 :: 3.63 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) S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.6 CA :: 61.32 CB :: 62.95 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.44 HA :: 4.38 HB2 :: 4.03 HB3 :: 3.94 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.4 Ave N Shift Values>> N :: 116.3(3.95) S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 57.31 CB :: 63.94 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.64 HA :: 4.74 HB2 :: 3.90 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 :: 114.2 Ave N Shift Values>> N :: 116.3(3.95) T19 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 :: 173.0 CA :: 63.38 CB :: 69.42 CG2 :: 21.07 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 :: 7.26 HA :: 4.15 HB :: 3.82 HG2 :: 1.20 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 :: 120.3 Ave N Shift Values>> N :: 115.7(5.05) K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.45 M 0.04 G 0.01 C Shift Assignments>> C :: 176.3 CA :: 56.62 CB :: 32.85 CG :: 24.95 CD :: 29.50 CE :: 42.22 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 :: 8.65 HA :: 4.10 HB2 :: 1.80 HB3 :: 1.77 HG2 :: 1.20 HG3 :: 1.40 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.97 HE3 :: 2.97 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 :: 129.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.8 CA :: 63.62 CB :: 31.48 CG1 :: 21.59 CG2 :: 21.59 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 :: 8.62 HA :: 3.78 HB :: 2.01 HG1 :: 0.93 HG2 :: 0.88 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 :: 126.8 Ave N Shift Values>> N :: 121.02(4.96) E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 M 0.22 Q 0.08 K 0.04 I 0.01 C Shift Assignments>> C :: 176.7 CA :: 56.85 CB :: 31.48 CG :: 35.47 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 :: 9.59 HA :: 4.65 HB2 :: 1.92 HB3 :: 2.45 HG2 :: 2.38 HG3 :: 2.38 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 :: 129.8 Ave N Shift Values>> N :: 120.68(3.68) Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 172.2 CA :: 57.70 CB :: 41.39 CD1 :: 132.8 CD2 :: 132.8 CE1 :: 118.0 CE2 :: 118.0 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 :: 8.04 HA :: 4.78 HB2 :: 2.65 HB3 :: 3.18 HD1 :: 6.61 HD2 :: 6.61 HE1 :: 6.13 HE2 :: 6.13 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 :: 117.8 Ave N Shift Values>> N :: 120.79(4.69) T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.4 CA :: 61.54 CB :: 71.42 CG2 :: 21.33 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 :: 5.05 HB :: 3.78 HG2 :: 1.09 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 :: 119.7 Ave N Shift Values>> N :: 115.7(5.05) D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.42 C 0.16 N 0.14 K 0.13 F 0.05 Y 0.04 G 0.02 C Shift Assignments>> C :: 176.4 CA :: 52.41 CB :: 42.04 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 :: 9.11 HA :: 4.63 HB2 :: 2.70 HB3 :: 3.28 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 :: 127.3 Ave N Shift Values>> N :: 120.73(4.2) A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.44 C 0.03 I 0.01 C Shift Assignments>> C :: 179.4 CA :: 54.49 CB :: 18.54 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.14 HA :: 3.99 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 :: 118.1 Ave N Shift Values>> N :: 123.23(3.7) S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.7 CA :: 60.13 CB :: 63.57 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.26 HA :: 4.09 HB2 :: 4.13 HB3 :: 3.72 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.0 Ave N Shift Values>> N :: 116.3(3.95) G28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.14 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.0 CA :: 44.64 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.40 HA2 :: 3.30 HA3 :: 3.30 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.2 Ave N Shift Values>> N :: 109.91(4.29) Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.36 C 0.32 Q 0.14 E 0.13 K 0.02 C Shift Assignments>> C :: 174.9 CA :: 54.99 CB :: 32.13 CG :: 34.48 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 :: 8.17 HA :: 4.84 HB2 :: 1.99 HB3 :: 2.17 HG2 :: 2.46 HG3 :: 2.42 HE21 :: 7.62 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 :: 116.9 NE2 :: 112.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 W 0.34 C Shift Assignments>> C :: 176.3 CA :: 56.63 CB :: 32.25 CD1 :: 128.8 CE3 :: 119.7 CZ2 :: 114.2 CZ3 :: 119.7 CH2 :: 122.5 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 :: 9.05 HA :: 5.33 HB2 :: 2.68 HB3 :: 3.33 HD1 :: 6.75 HE1 :: 9.98 HE3 :: 7.13 HZ2 :: 7.52 HZ3 :: 6.02 HH2 :: 6.65 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 :: 121.0 NE1 :: 130.0 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 C 0.23 D 0.09 F 0.08 Y 0.05 K 0.05 I 0.01 C Shift Assignments>> C :: 171.4 CA :: 43.84 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.42 HA2 :: 4.89 HA3 :: 3.59 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.9 Ave N Shift Values>> N :: 109.91(4.29) V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.9 CA :: 61.26 CB :: 34.27 CG1 :: 20.70 CG2 :: 20.70 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 :: 8.78 HA :: 4.58 HB :: 1.51 HG1 :: 0.08 HG2 :: 0.33 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.1 Ave N Shift Values>> N :: 121.02(4.96) Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.35 Q 0.11 E 0.09 K 0.01 C Shift Assignments>> C :: 175.9 CA :: 54.55 CB :: 32.57 CG :: 34.34 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 :: 8.72 HA :: 4.57 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 2.36 HG3 :: 2.36 HE21 :: 7.31 HE22 :: 7.57 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 :: 124.2 NE2 :: 112.7 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 C 0.26 Y 0.11 E 0.1 F 0.06 D 0.06 M 0.04 K 0.01 I 0.01 HN Overlap>> K87 C Shift Assignments>> C :: 175.5 CA :: 54.24 CB :: 37.37 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 :: 9.58 HA :: 4.29 HB2 :: 2.99 HB3 :: 2.73 HD21 :: 7.61 HD22 :: 6.87 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 :: 130.0 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.09 C Shift Assignments>> C :: 173.3 CA :: 45.49 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.48 HA2 :: 3.93 HA3 :: 3.38 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.8 Ave N Shift Values>> N :: 109.91(4.29) Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.35 Q 0.1 E 0.03 K 0.01 C Shift Assignments>> C :: 174.6 CA :: 53.41 CB :: 32.54 CG :: 33.38 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 :: 7.58 HA :: 4.66 HB2 :: 1.92 HB3 :: 2.19 HG2 :: 2.39 HG3 :: 2.44 HE21 :: 7.57 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 :: 119.1 NE2 :: 113.2 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) W37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.8 CA :: 57.74 CB :: 30.30 CD1 :: 126.6 CE3 :: 121.5 CZ2 :: 114.1 CZ3 :: 121.3 CH2 :: 124.2 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 :: 8.42 HA :: 5.18 HB2 :: 2.82 HB3 :: 3.03 HD1 :: 7.09 HE1 :: 9.62 HE3 :: 7.72 HZ2 :: 7.05 HZ3 :: 6.65 HH2 :: 6.87 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 :: 123.8 NE1 :: 127.8 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.1 D 0.02 C Shift Assignments>> C :: 172.7 CA :: 52.67 CB :: 45.08 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.58 HA :: 5.26 HB2 :: 2.54 HB3 :: 2.87 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 :: 116.9 Ave N Shift Values>> N :: 119.95(4.79) G39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.87 C 0.09 F 0.01 C Shift Assignments>> C :: 172.2 CA :: 45.17 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.51 HA2 :: 1.63(S) HA3 :: 3.52 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.9 Ave N Shift Values>> N :: 109.91(4.29) I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.24 C Shift Assignments>> C :: 173.9 CA :: 62.73 CB :: 36.81 CG1 :: 29.96 CG2 :: 17.44 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 :: 8.84 HA :: 3.36 HB :: 1.69 HG2 :: 0.38 HG12 :: 1.54 HG13 :: 0.50 HD1 :: 0.64 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 :: 128.4 Ave N Shift Values>> N :: 121.6(4.72) D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.09 D 0.02 C Shift Assignments>> C :: 177.8 CA :: 52.38 CB :: 45.00 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 :: 8.73 HA :: 5.18 HB2 :: 2.09 HB3 :: 2.96 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 :: 131.7 Ave N Shift Values>> N :: 120.73(4.2) Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 176.6 CA :: 61.59 CB :: 37.42 CD1 :: 132.1 CD2 :: 132.1 CE1 :: 118.1 CE2 :: 118.1 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 :: 9.01 HA :: 4.11 HB2 :: 2.85 HB3 :: 3.23 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 6.70 HE2 :: 6.70 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 :: 124.5 Ave N Shift Values>> N :: 120.79(4.69) S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 59.29 CB :: 64.08 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.03 HA :: 4.54 HB2 :: 3.96 HB3 :: 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 :: 116.0 Ave N Shift Values>> N :: 116.3(3.95) Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 175.8 CA :: 58.74 CB :: 39.89 CD1 :: 133.3 CD2 :: 133.3 CE1 :: 118.0 CE2 :: 118.0 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 :: 7.90 HA :: 4.54 HB2 :: 3.06 HB3 :: 3.14 HD1 :: 7.08 HD2 :: 7.08 HE1 :: 6.71 HE2 :: 6.71 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 :: 125.0 Ave N Shift Values>> N :: 120.79(4.69) G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.09 C Shift Assignments>> C :: 174.3 CA :: 45.46 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.76 HA2 :: 3.59 HA3 :: 3.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.6 Ave N Shift Values>> N :: 109.91(4.29) Q46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.25 K 0.24 E 0.12 M 0.1 C Shift Assignments>> C :: 175.8 CA :: 55.80 CB :: 29.53 CG :: 33.79 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 :: 7.97 HA :: 4.23 HB2 :: 1.93 HB3 :: 2.09 HG2 :: 2.23 HG3 :: 2.30 HE21 :: 6.83 HE22 :: 7.52 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 :: 119.1 NE2 :: 112.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.21 C 0.16 Y 0.09 F 0.07 E 0.01 C Shift Assignments>> C :: 175.2 CA :: 53.43 CB :: 38.97 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 :: 8.53 HA :: 4.68 HB2 :: 2.72 HB3 :: 2.79 HD21 :: 6.90 HD22 :: 7.57 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 :: 119.8 ND2 :: 113.0 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.25 K 0.23 E 0.14 M 0.09 HN Overlap>> Q95 C Shift Assignments>> C :: 176.5 CA :: 56.12 CB :: 29.48 CG :: 33.99 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 :: 8.40 HA :: 4.30 HB2 :: 1.90 HB3 :: 2.10 HG2 :: 2.29 HG3 :: 2.29 HE21 :: 6.80 HE22 :: 7.42 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 :: 120.5 NE2 :: 112.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.09 C Shift Assignments>> C :: 174.2 CA :: 45.45 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.45 HA2 :: 3.93 HA3 :: 3.93 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.7 Ave N Shift Values>> N :: 109.91(4.29) N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.21 C 0.16 Y 0.09 F 0.08 E 0.01 C Shift Assignments>> C :: 174.7 CA :: 53.51 CB :: 38.97 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 :: 8.33 HA :: 4.79 HB2 :: 2.72 HB3 :: 2.81 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 :: 118.9 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.14 K 0.06 Q 0.04 I 0.03 HN Overlap>> C65 C Shift Assignments>> C :: 176.0 CA :: 56.13 CB :: 30.65 CG :: 36.24 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 :: 4.44 HB2 :: 1.89 HB3 :: 2.08 HG2 :: 2.19 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 :: 120.2 Ave N Shift Values>> N :: 120.68(3.68) S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.1 CA :: 58.05 CB :: 64.07 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.21 HA :: 4.56 HB2 :: 3.88 HB3 :: 3.84 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 :: 116.4 Ave N Shift Values>> N :: 116.3(3.95) C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 G 0.01 C Shift Assignments>> C :: 172.6 CA :: 53.67 CB :: 50.43 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.70 HA :: 4.95 HB2 :: 2.65 HB3 :: 3.23 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 :: 117.7 Ave N Shift Values>> N :: 119.95(4.79) T54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.7 CA :: 64.11 CB :: 68.79 CG2 :: 20.51 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 :: 7.37 HA :: 3.63 HB :: 2.85(S) HG2 :: -0.37(S) 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 :: 116.3 Ave N Shift Values>> N :: 115.7(5.05) G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.08 C Shift Assignments>> C :: 176.5 CA :: 45.35 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.84 HA2 :: 3.90 HA3 :: 4.50 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.3 Ave N Shift Values>> N :: 109.91(4.29) N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.23 Y 0.15 D 0.1 F 0.1 E 0.07 M 0.02 I 0.01 C Shift Assignments>> C :: 174.9 CA :: 54.72 CB :: 38.05 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 :: 8.61 HA :: 4.69 HB2 :: 2.84 HB3 :: 3.14 HD21 :: 6.96 HD22 :: 7.65 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 :: 116.9 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.1 F 0.01 C Shift Assignments>> C :: 175.5 CA :: 45.09 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.88 HA2 :: 3.78 HA3 :: 4.49 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.0 Ave N Shift Values>> N :: 109.91(4.29) S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.2 CA :: 60.54 CB :: 63.50 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.08 HA :: 4.23 HB2 :: 3.80 HB3 :: 3.92 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 :: 117.0 Ave N Shift Values>> N :: 116.3(3.95) Y59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 173.3 CA :: 55.88 CB :: 40.28 CD1 :: 133.6 CD2 :: 133.6 CE1 :: 118.4 CE2 :: 118.4 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 :: 7.77 HA :: 4.85 HB2 :: 2.70 HB3 :: 3.35 HD1 :: 7.38 HD2 :: 7.38 HE1 :: 6.91 HE2 :: 6.91 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 :: 117.9 Ave N Shift Values>> N :: 120.79(4.69) P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.5 CA :: 62.52 CB :: 32.20 CG :: 27.57 CD :: 50.69 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 :: 4.46 HB2 :: 1.81 HB3 :: 2.35 HG2 :: 2.02 HG3 :: 2.11 HD2 :: 3.85 HD3 :: 4.12 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) C61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.17 D 0.14 Y 0.04 F 0.03 C Shift Assignments>> C :: 177.0 CA :: 51.44 CB :: 38.53 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.76 HA :: 5.74 HB2 :: 2.78 HB3 :: 2.93 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 :: 117.9 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>> D 0.32 N 0.31 C 0.14 F 0.09 Y 0.08 K 0.02 C Shift Assignments>> C :: 175.3 CA :: 53.51 CB :: 39.90 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.45 HA :: 4.58 HB2 :: 2.82 HB3 :: 3.17 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 :: 123.3 Ave N Shift Values>> N :: 119.95(4.79) N63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.21 C 0.21 F 0.18 D 0.16 N 0.14 I 0.03 E 0.02 C Shift Assignments>> C :: 176.9 CA :: 55.77 CB :: 39.09 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 :: 11.39(S) HA :: 4.62 HB2 :: 2.71 HB3 :: 2.87 HD21 :: 6.98 HD22 :: 7.59 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 :: 125.7 ND2 :: 114.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) T64 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 :: 172.8 CA :: 61.72 CB :: 68.84 CG2 :: 20.04 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 :: 8.53 HA :: 4.23 HB :: 4.27 HG2 :: 0.97 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 115.7(5.05) C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 C 0.24 Y 0.07 D 0.06 E 0.06 F 0.04 M 0.03 HN Overlap>> E51 C Shift Assignments>> C :: 175.2 CA :: 53.17 CB :: 37.32 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.42 HA :: 5.17 HB2 :: 2.60 HB3 :: 3.43 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 :: 120.2 Ave N Shift Values>> N :: 119.95(4.79) Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.27 E 0.08 M 0.04 C Shift Assignments>> C :: 173.4 CA :: 54.97 CB :: 28.48 CG :: 33.78 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 :: 8.53 HA :: 4.33 HB2 :: 1.90 HB3 :: 1.99 HG2 :: 2.17 HG3 :: 2.21 HE21 :: 6.88 HE22 :: 7.61 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 :: 123.9 NE2 :: 113.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.22 C 0.05 C Shift Assignments>> C :: 178.8 CA :: 52.69 CB :: 20.52 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.40 HA :: 4.23 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 :: 129.0 Ave N Shift Values>> N :: 123.23(3.7) T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 176.6 CA :: 61.88 CB :: 69.79 CG2 :: 22.61 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 :: 4.64 HB :: 4.56 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 :: 111.6 Ave N Shift Values>> N :: 115.7(5.05) Y69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.34 G 0.02 C Shift Assignments>> C :: 172.5 CA :: 58.48 CB :: 42.30 CD1 :: 132.6 CD2 :: 132.6 CE1 :: 117.8 CE2 :: 117.8 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 :: 8.19 HA :: 4.83 HB2 :: 2.61 HB3 :: 3.33 HD1 :: 6.82 HD2 :: 6.82 HE1 :: 6.47 HE2 :: 6.47 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 :: 124.4 Ave N Shift Values>> N :: 120.79(4.69) T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 172.3 CA :: 61.32 CB :: 72.19 CG2 :: 21.46 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 :: 7.59 HA :: 5.17 HB :: 3.55 HG2 :: 1.10 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 :: 123.8 Ave N Shift Values>> N :: 115.7(5.05) D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 N 0.18 C 0.15 K 0.11 F 0.06 Y 0.04 C Shift Assignments>> C :: 177.4 CA :: 52.40 CB :: 41.60 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 :: 9.01 HA :: 4.56 HB2 :: 2.58 HB3 :: 3.10 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 :: 126.8 Ave N Shift Values>> N :: 120.73(4.2) G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.15 C Shift Assignments>> C :: 175.2 CA :: 46.70 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.54 HA2 :: 3.81 HA3 :: 4.75 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.8 Ave N Shift Values>> N :: 109.91(4.29) D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 D 0.24 C 0.15 F 0.13 Y 0.1 N 0.03 C Shift Assignments>> C :: 175.5 CA :: 55.50 CB :: 41.90 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 :: 8.33 HA :: 4.74 HB2 :: 2.69 HB3 :: 2.97 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 :: 119.1 Ave N Shift Values>> N :: 120.73(4.2) G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.14 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.2 CA :: 44.64 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.82 HA2 :: 3.57 HA3 :: 4.31 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.6 Ave N Shift Values>> N :: 109.91(4.29) D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 K 0.21 C 0.17 F 0.08 N 0.07 Y 0.06 G 0.02 C Shift Assignments>> C :: 172.9 CA :: 53.76 CB :: 42.39 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 :: 7.90 HA :: 5.20 HB2 :: 2.33 HB3 :: 2.43 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 :: 118.9 Ave N Shift Values>> N :: 120.73(4.2) W76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 W 0.17 HN Overlap>> N14 C Shift Assignments>> C :: 175.3 CA :: 56.38 CB :: 34.67 CD1 :: 129.2 CE3 :: 119.5 CZ2 :: 114.8 CZ3 :: 120.4 CH2 :: 123.1 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 :: 9.45 HA :: 5.44 HB2 :: 3.09 HB3 :: 3.76 HD1 :: 6.94 HE1 :: 10.21 HE3 :: 7.33 HZ2 :: 7.22 HZ3 :: 6.00 HH2 :: 6.57 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 :: 123.0 NE1 :: 131.6 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.21 C 0.15 K 0.02 C Shift Assignments>> C :: 173.5 CA :: 51.97 CB :: 21.95 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.38 HA :: 5.24 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 :: 122.7 Ave N Shift Values>> N :: 123.23(3.7) F78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 174.4 CA :: 57.17 CB :: 41.11 CD1 :: 131.2 CD2 :: 131.2 CE1 :: 130.3 CE2 :: 130.3 CZ :: 129.0 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 :: 7.81 HA :: 4.72 HB2 :: 1.56(S) HB3 :: 2.59 HD1 :: 5.84 HD2 :: 5.84 HE1 :: 6.61 HE2 :: 6.61 HZ :: 6.70 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.6 Ave N Shift Values>> N :: 120.69(4.18) E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 M 0.04 E 0.03 C Shift Assignments>> C :: 175.4 CA :: 55.04 CB :: 34.86 CG :: 37.53 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 :: 8.21 HA :: 4.44 HB2 :: 1.69 HB3 :: 1.91 HG2 :: 2.19 HG3 :: 2.19 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.9 Ave N Shift Values>> N :: 120.68(3.68) N80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.26 E 0.1 Y 0.1 F 0.06 D 0.05 M 0.04 K 0.01 C Shift Assignments>> C :: 175.5 CA :: 54.07 CB :: 37.22 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 :: 9.32 HA :: 4.20 HB2 :: 2.69 HB3 :: 2.90 HD21 :: 6.86 HD22 :: 7.72 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.1 ND2 :: 114.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 C 0.1 C Shift Assignments>> C :: 172.9 CA :: 45.82 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.19 HA2 :: 3.33 HA3 :: 3.89 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.2 Ave N Shift Values>> N :: 109.91(4.29) N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 C 0.22 G 0.15 N 0.09 K 0.08 F 0.04 Y 0.02 C Shift Assignments>> C :: 172.9 CA :: 51.44 CB :: 42.74 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 6.99 HA :: 4.62 HB2 :: 2.44 HB3 :: 2.75 HD21 :: 7.00 HD22 :: 7.57 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 :: 117.4 ND2 :: 113.4 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) W83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 C 0.45 C Shift Assignments>> C :: 175.8 CA :: 58.13 CB :: 30.33 CD1 :: 127.0 CZ2 :: 114.6 CZ3 :: 121.8 CH2 :: 124.5 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 :: 8.18 HA :: 4.90 HB2 :: 2.72 HB3 :: 2.95 HD1 :: 7.07 HE1 :: 9.91 HE3 :: 6.98 HZ2 :: 7.31 HZ3 :: 6.99 HH2 :: 7.04 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 :: 121.5 NE1 :: 129.1 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.1 D 0.01 C Shift Assignments>> C :: 173.7 CA :: 53.07 CB :: 45.54 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.77 HA :: 5.46 HB2 :: 2.96 HB3 :: 3.13 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 :: 118.1 Ave N Shift Values>> N :: 119.95(4.79) G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 C 0.08 C Shift Assignments>> C :: 173.5 CA :: 45.33 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.41 HA2 :: 3.85 HA3 :: 4.06 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.8 Ave N Shift Values>> N :: 109.91(4.29) I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 I 0.14 A 0.01 C Shift Assignments>> C :: 177.9 CA :: 58.98 CB :: 35.41 CG1 :: 26.84 CG2 :: 17.20 CD1 :: 9.27 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 :: 4.02 HB :: 1.72 HG2 :: 0.94 HG12 :: 1.04 HG13 :: 1.23 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 :: 128.8 Ave N Shift Values>> N :: 121.6(4.72) K87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 M 0.02 G 0.01 HN Overlap>> N34 C Shift Assignments>> C :: 178.4 CA :: 57.75 CB :: 33.32 CG :: 29.84(S) CD :: 27.30 CE :: 41.86 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.63 HA :: 4.27 HB2 :: 2.00 HB3 :: 2.06 HG2 :: 1.64 HG3 :: 1.69 HD2 :: 1.43 HD3 :: 1.61 HE2 :: 2.86 HE3 :: 2.95 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 :: 130.1 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Y 0.19 E 0.17 F 0.12 N 0.1 I 0.04 D 0.03 M 0.03 K 0.01 C Shift Assignments>> C :: 177.6 CA :: 56.13 CB :: 37.51 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 :: 8.49 HA :: 4.35 HB2 :: 2.70 HB3 :: 2.77 HD21 :: 7.04 HD22 :: 7.62 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.0 ND2 :: 112.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.1 CA :: 59.69 CB :: 62.23 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.55 HA :: 4.21 HB2 :: 3.85 HB3 :: 4.02 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.7 Ave N Shift Values>> N :: 116.3(3.95) C90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.25 Y 0.17 F 0.09 I 0.06 M 0.05 K 0.02 N 0.02 C Shift Assignments>> C :: 175.7 CA :: 57.32 CB :: 36.87 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.66 HA :: 4.40 HB2 :: 2.96 HB3 :: 3.04 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 :: 120.4 Ave N Shift Values>> N :: 119.95(4.79) K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.45 M 0.04 G 0.01 C Shift Assignments>> C :: 176.2 CA :: 56.41 CB :: 32.83 CG :: 24.63 CD :: 29.02 CE :: 42.18 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 :: 7.64 HA :: 4.33 HB2 :: 1.76 HB3 :: 1.88 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.61 HD3 :: 1.61 HE2 :: 2.92 HE3 :: 2.92 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 :: 118.3 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.25 K 0.24 E 0.11 M 0.09 C Shift Assignments>> C :: 175.6 CA :: 55.52 CB :: 29.47 CG :: 33.78 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 :: 7.87 HA :: 4.30 HB2 :: 2.08 HB3 :: 2.08 HG2 :: 2.31 HG3 :: 2.31 HE21 :: 6.82 HE22 :: 7.49 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 :: 119.8 NE2 :: 112.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) Q93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.27 M 0.06 E 0.05 C Shift Assignments>> C :: 174.0 CA :: 53.77 CB :: 28.72 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 :: 8.25 HA :: 4.55 HB2 :: 1.88 HB3 :: 2.06 HG2 :: 2.35 HG3 :: 2.35 HE21 :: 6.79 HE22 :: 7.47 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 :: 122.3 NE2 :: 112.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) P94 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 :: 176.9 CA :: 63.24 CB :: 31.99 CG :: 27.36 CD :: 50.54 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 :: 4.34 HB2 :: 2.20 HB3 :: 1.83 HG2 :: 1.93 HG3 :: 1.93 HD2 :: 3.58 HD3 :: 3.68 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) Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.25 K 0.23 E 0.11 M 0.11 HN Overlap>> Q48 C Shift Assignments>> C :: 175.7 CA :: 55.85 CB :: 29.67 CG :: 33.74 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 :: 8.50 HA :: 4.27 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.34 HG3 :: 2.34 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 :: 120.5 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.19 C 0.18 Y 0.13 F 0.11 E 0.02 I 0.01 C Shift Assignments>> C :: 174.9 CA :: 54.30 CB :: 38.83 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 :: 8.41 HA :: 4.67 HB2 :: 2.72 HB3 :: 2.80 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 :: 119.8 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 90 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 96 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 96 #Suspicious: 0 C Shift Results: #Consistent: 374 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 524 #Duplicate: 0 #Unknown: 0 #Suspicious: 7 #Anomalous: 0 N Shift Results: #Consistent: 118 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: A5 H = 5.80(S), Expected = 8.20, Std = 0.6000, ChiSquare = 6.3342e-05 A5 HB = 0.11(S), Expected = 1.38, Std = 0.2500, ChiSquare = 3.7743e-07 G39 HA2 = 1.63(S), Expected = 3.95, Std = 0.4000, ChiSquare = 6.6315e-09 T54 HB = 2.85(S), Expected = 4.17, Std = 0.3700, ChiSquare = 3.6031e-04 T54 HG2 = -0.37(S), Expected = 1.16, Std = 0.2800, ChiSquare = 4.6477e-08 N63 H = 11.39(S), Expected = 8.37, Std = 0.6500, ChiSquare = 3.3818e-06 F78 HB2 = 1.56(S), Expected = 2.99, Std = 0.3700, ChiSquare = 1.1115e-04 K87 CG = 29.84(S), Expected = 24.91, Std = 1.3100, ChiSquare = 1.6765e-04