R1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable G10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.25 CA :: 58.32 CB :: 64.02 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.46 HB2 :: 3.90 HB3 :: 3.90 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) A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 L 0.01 C Shift Assignments>> C :: 176.82 CA :: 52.83 CB :: 19.44 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.37 HA :: 4.30 HB :: 1.39 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.78 Ave N Shift Values>> N :: 123.23(3.7) V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.75 CA :: 60.88 CB :: 33.56 CG1 :: 20.70 CG2 :: 21.20 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 :: 7.90 HA :: 4.34 HB :: 1.78 HG1 :: 0.63 HG2 :: 0.64 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.69 Ave N Shift Values>> N :: 121.02(4.96) Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 Q 0.31 K 0.13 E 0.12 R 0.01 C Shift Assignments>> C :: 174.41 CA :: 54.78 CB :: 31.12 CG :: 33.70 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 :: 8.02 HA :: 4.59 HB2 :: 1.93 HB3 :: 1.79 HG2 :: 2.22 HG3 :: 2.22 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 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 174.50 CA :: 59.22 CB :: 35.21 CG1 :: 21.67 CG2 :: 21.55 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 :: 8.12 HA :: 5.23 HB :: 1.31 HG1 :: 0.12 HG2 :: 0.27 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 :: 121.17 Ave N Shift Values>> N :: 121.02(4.96) T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.49 CA :: 60.58 CB :: 71.98 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 :: 7.95 HA :: 4.72 HB :: 4.00 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 :: 113.36 Ave N Shift Values>> N :: 115.7(5.05) F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.26 K 0.16 D 0.1 F 0.08 Y 0.06 G 0.02 C Shift Assignments>> C :: 175.43 CA :: 56.08 CB :: 42.78 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 :: 8.99 HA :: 5.06 HB2 :: 3.22 HB3 :: 2.54 HD1 :: 6.72 HD2 :: 6.72 HE1 :: 6.28 HE2 :: 6.28 HZ :: 6.64 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.57 Ave N Shift Values>> N :: 120.69(4.18) T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.38 CA :: 62.15 CB :: 70.57 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 :: 9.21 HA :: 5.55 HB :: 4.03 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 :: 119.98 Ave N Shift Values>> N :: 115.7(5.05) V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.98 CA :: 64.29 CB :: 31.17 CG1 :: 22.30 CG2 :: 22.30 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 :: 8.59 HA :: 4.10 HB :: 2.61 HG1 :: 1.03 HG2 :: 1.03 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 :: 130.66 Ave N Shift Values>> N :: 121.02(4.96) Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 Q 0.23 E 0.18 K 0.06 C Shift Assignments>> C :: 176.98 CA :: 54.04 CB :: 31.61 CG :: 34.50 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 :: 9.10 HA :: 4.72 HB2 :: 2.32 HB3 :: 1.79 HG2 :: 2.20 HG3 :: 2.20 HE21 :: 7.36 HE22 :: 6.80 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 :: 126.52 NE2 :: 114.25 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.66 R 0.27 M 0.04 G 0.01 C Shift Assignments>> C :: 175.30 CA :: 58.87 CB :: 32.31 CG :: 25.00 CD :: 29.40 CE :: 42.00 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 :: 8.77 HA :: 4.11 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.56 HG3 :: 1.56 HD2 :: 1.75 HD3 :: 1.75 HE2 :: 3.04 HE3 :: 3.04 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.11 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 R 0.17 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.93 CA :: 44.56 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.95 HA2 :: 4.49 HA3 :: 3.63 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.23 Ave N Shift Values>> N :: 109.91(4.29) S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.76 CA :: 60.13 CB :: 64.52 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.58 HA :: 4.89 HB2 :: 4.16 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 :: 115.82 Ave N Shift Values>> N :: 116.3(3.95) D24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.31 L 0.2 K 0.12 N 0.12 F 0.1 Y 0.08 R 0.02 C Shift Assignments>> CA :: 54.35 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 :: 10.67(S) HA :: 4.88 HB2 :: 2.85 HB3 :: 3.25 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 :: 130.06 Ave N Shift Values>> N :: 120.73(4.2) P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.02 CA :: 66.19 CB :: 32.56 CG :: 28.20 CD :: 51.00 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 :: 4.51 HB2 :: 2.55 HB3 :: 1.85 HG2 :: 2.00 HG3 :: 2.16 HD2 :: 3.64 HD3 :: 3.92 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) K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.39 M 0.03 G 0.01 C Shift Assignments>> C :: 174.10 CA :: 56.09 CB :: 33.63 CG :: 25.80 CD :: 29.60 CE :: 42.00 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 :: 8.77 HA :: 4.49 HB2 :: 2.49 HB3 :: 1.67 HG2 :: 0.87 HG3 :: 1.32 HD2 :: 1.57 HD3 :: 1.57 HE2 :: 2.83 HE3 :: 2.83 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 :: 113.92 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 M 0.17 Y 0.11 K 0.1 Q 0.05 N 0.05 F 0.04 I 0.02 W 0.01 V 0.01 C Shift Assignments>> C :: 173.35 CA :: 56.09 CB :: 35.92 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 :: 8.13 HA :: 5.17 HB2 :: 1.79 HB3 :: 1.79 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.55 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.44 A 0.01 C Shift Assignments>> C :: 174.20 CA :: 53.31 CB :: 44.94 CG :: 26.60 CD1 :: 24.00 CD2 :: 24.10 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 :: 8.54 HA :: 4.54 HB2 :: 1.11 HB3 :: 1.22 HG :: 1.11 HD1 :: 0.04 HD2 :: 0.15 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 :: 125.00 Ave N Shift Values>> N :: 121.98(4.07) V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.65 CA :: 61.61 CB :: 32.44 CG1 :: 21.60 CG2 :: 20.58 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 :: 8.26 HA :: 4.68 HB :: 1.83 HG1 :: 0.90 HG2 :: 0.81 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.19 Ave N Shift Values>> N :: 121.02(4.96) L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.22 C Shift Assignments>> C :: 175.56 CA :: 53.26 CB :: 47.08 CG :: 26.40 CD1 :: 25.30 CD2 :: 27.00 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 :: 9.75 HA :: 5.22 HB2 :: 1.76 HB3 :: 1.16 HG :: 1.49 HD1 :: 0.75 HD2 :: 0.74 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 :: 125.08 Ave N Shift Values>> N :: 121.98(4.07) D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.25 R 0.15 K 0.1 N 0.05 F 0.04 G 0.03 Y 0.03 C Shift Assignments>> C :: 176.70 CA :: 53.07 CB :: 42.59 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 :: 8.84 HA :: 5.26 HB2 :: 2.47 HB3 :: 2.78 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 :: 122.26 Ave N Shift Values>> N :: 120.73(4.2) I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.73 CA :: 60.52 CB :: 39.56 CG1 :: 27.80 CG2 :: 16.59 CD1 :: 13.20 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 :: 8.82 HA :: 4.55 HB :: 1.37 HG2 :: 0.22 HG12 :: 1.49 HG13 :: 0.51 HD1 :: 0.20 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 :: 129.11 Ave N Shift Values>> N :: 121.6(4.72) K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.31 M 0.04 G 0.01 C Shift Assignments>> C :: 173.96 CA :: 54.80 CB :: 32.46 CG :: 24.60 CD :: 28.80 CE :: 42.10 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 :: 8.23 HA :: 4.56 HB2 :: 1.71 HB3 :: 1.71 HG2 :: 1.22 HG3 :: 1.29 HD2 :: 1.57 HD3 :: 1.57 HE2 :: 2.94 HE3 :: 2.94 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 :: 129.15 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.21 F 0.14 D 0.12 R 0.12 Y 0.11 I 0.01 N 0.01 C Shift Assignments>> C :: 174.37 CA :: 56.63 CB :: 41.78 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 :: 8.55 HA :: 4.84 HB2 :: 2.29 HB3 :: 2.96 HD1 :: 6.62 HD2 :: 6.62 HE1 :: 6.27 HE2 :: 6.27 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 :: 127.82 Ave N Shift Values>> N :: 120.79(4.69) T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.48 CA :: 61.23 CB :: 70.16 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 :: 8.46 HA :: 4.41 HB :: 3.94 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 :: 123.25 Ave N Shift Values>> N :: 115.7(5.05) R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.28 G 0.23 C Shift Assignments>> CA :: 53.68 CB :: 33.45 CG :: 27.40 CD :: 43.40 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 :: 4.56 HB2 :: 1.40 HB3 :: 1.40 HG2 :: 1.48 HG3 :: 1.42 HD2 :: 3.02 HD3 :: 3.36 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 :: 126.99 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.86 CA :: 64.26 CB :: 31.69 CG :: 27.40 CD :: 50.80 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 :: 4.29 HB2 :: 1.91 HB3 :: 2.29 HG2 :: 2.10 HG3 :: 1.95 HD2 :: 3.61 HD3 :: 3.72 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) G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 173.25 CA :: 45.98 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.96 HA2 :: 4.09 HA3 :: 3.81 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.30 Ave N Shift Values>> N :: 109.91(4.29) D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 R 0.01 D 0.01 C Shift Assignments>> C :: 175.01 CA :: 51.66 CB :: 45.12 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 :: 8.45 HA :: 5.23 HB2 :: 2.59 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 :: 121.36 Ave N Shift Values>> N :: 120.73(4.2) S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.05 CA :: 58.00 CB :: 65.30 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.86 HA :: 4.91 HB2 :: 4.07 HB3 :: 3.96 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.97 Ave N Shift Values>> N :: 116.3(3.95) L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.06 G 0.05 A 0.01 C Shift Assignments>> C :: 175.46 CA :: 56.53 CB :: 42.65 CG :: 26.10 CD1 :: 23.30 CD2 :: 25.00 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 :: 8.81 HA :: 3.49 HB2 :: 1.60 HB3 :: 0.99 HG :: 1.03 HD1 :: 0.15 HD2 :: 0.20 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) A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.28 L 0.22 V 0.01 K 0.01 C Shift Assignments>> C :: 176.67 CA :: 53.47 CB :: 21.41 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.67 HA :: 4.87 HB :: 1.32 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.73 Ave N Shift Values>> N :: 123.23(3.7) E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.29 Q 0.02 C Shift Assignments>> C :: 173.85 CA :: 55.53 CB :: 34.96 CG :: 36.00 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 :: 8.16 HA :: 4.84 HB2 :: 1.86 HB3 :: 2.15 HG2 :: 2.33 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 :: 115.46 Ave N Shift Values>> N :: 120.68(3.68) V44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.86 CA :: 60.91 CB :: 34.94 CG1 :: 21.40 CG2 :: 20.78 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 :: 8.30 HA :: 4.61 HB :: 1.20 HG1 :: 0.48 HG2 :: -0.44(S) 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 :: 119.98 Ave N Shift Values>> N :: 121.02(4.96) E45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 E 0.31 C Shift Assignments>> C :: 173.95 CA :: 54.42 CB :: 36.46(S) CG :: 36.60 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 :: 9.08 HA :: 5.24 HB2 :: 2.02 HB3 :: 2.11 HG2 :: 2.16 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 :: 123.94 Ave N Shift Values>> N :: 120.68(3.68) L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.24 C Shift Assignments>> C :: 174.34 CA :: 53.00 CB :: 46.83 CG :: 27.20 CD1 :: 26.80 CD2 :: 25.50 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 :: 9.38 HA :: 5.15 HB2 :: 1.34 HB3 :: 1.48 HG :: 1.26 HD1 :: 0.60 HD2 :: 0.40 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 :: 123.79 Ave N Shift Values>> N :: 121.98(4.07) R47 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.49 K 0.39 G 0.1 C Shift Assignments>> C :: 176.85 CA :: 54.79 CB :: 32.55 CG :: 25.89 CD :: 43.18 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 :: 8.60 HA :: 4.73 HB2 :: -0.76(M) HB3 :: 0.50(S) HG2 :: 0.53(S) HG3 :: 1.16 HD2 :: 2.90 HD3 :: 1.26(S) HE :: 5.86 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 :: 126.99 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) Q48 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> E 0.63 M 0.16 I 0.12 K 0.05 Q 0.01 C Shift Assignments>> C :: 175.13 CA :: 57.22 CB :: 30.80 CG :: 36.90 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 :: 9.41 HA :: 4.23 HB2 :: 1.73 HB3 :: 2.95 HG2 :: 2.47 HG3 :: 1.96 HE21 :: 9.51(M) HE22 :: 7.04 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 :: 128.67 NE2 :: 119.00 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) H49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.54 H 0.45 C Shift Assignments>> C :: 176.95 CA :: 58.60 CB :: 30.06 CD2 :: 120.75 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 :: 8.07 HA :: 4.10 HB2 :: 2.52 HB3 :: 2.87 HD2 :: 6.86 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 :: 120.84 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 R 0.07 F 0.01 C Shift Assignments>> C :: 173.22 CA :: 45.04 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.31 HA2 :: 3.31 HA3 :: 3.81 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.34 Ave N Shift Values>> N :: 109.91(4.29) S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.39 CA :: 55.28 CB :: 64.98 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 :: 4.61 HB2 :: 3.76 HB3 :: 3.54 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 :: 113.39 Ave N Shift Values>> N :: 116.3(3.95) E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 M 0.23 K 0.08 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.07 CA :: 55.82 CB :: 30.74 CG :: 36.40 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 :: 8.79 HA :: 4.28 HB2 :: 1.77 HB3 :: 2.19 HG2 :: 2.14 HG3 :: 2.23 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 :: 122.77 Ave N Shift Values>> N :: 120.68(3.68) E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 M 0.34 Q 0.06 K 0.04 I 0.02 C Shift Assignments>> C :: 174.90 CA :: 55.74 CB :: 31.46 CG :: 36.10 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.08 HA :: 4.33 HB2 :: 1.92 HB3 :: 1.83 HG2 :: 2.14 HG3 :: 2.24 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 :: 120.30 Ave N Shift Values>> N :: 120.68(3.68) W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 E 0.15 W 0.15 Q 0.14 K 0.09 M 0.08 I 0.01 V 0.01 HN Overlap>> L72 C Shift Assignments>> C :: 176.59 CA :: 56.30 CB :: 30.28 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 :: 8.65 HA :: 4.71 HB2 :: 2.88 HB3 :: 2.88 HD1 :: 7.21 HE1 :: 9.95 HE3 :: 6.99 HZ2 :: 7.47 HZ3 :: 6.67 HH2 :: 6.88 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 :: 125.21 NE1 :: 128.78 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 M 0.35 K 0.04 I 0.02 Q 0.01 C Shift Assignments>> CA :: 53.31 CB :: 31.08 CG :: 37.00 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 :: 10.30 HA :: 5.01 HB2 :: 2.16 HB3 :: 2.16 HG2 :: 2.16 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 :: 127.33 Ave N Shift Values>> N :: 120.68(3.68) P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.36 CA :: 63.87 CB :: 32.54 CG :: 27.60 CD :: 51.10 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 :: 4.76 HB2 :: 2.06 HB3 :: 2.55 HG2 :: 2.29 HG3 :: 2.22 HD2 :: 4.13 HD3 :: 4.03 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) L57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.24 G 0.09 C Shift Assignments>> C :: 176.89 CA :: 56.05 CB :: 43.29 CG :: 31.30(S) CD1 :: 26.00 CD2 :: 27.10 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 :: 8.97 HA :: 4.91 HB2 :: 2.02 HB3 :: 1.76 HG :: 1.80 HD1 :: 1.00 HD2 :: 0.86 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 :: 123.76 Ave N Shift Values>> N :: 121.98(4.07) T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.37 CA :: 61.74 CB :: 71.12 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 :: 9.35 HA :: 4.68 HB :: 4.05 HG2 :: 1.22 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 :: 117.03 Ave N Shift Values>> N :: 115.7(5.05) K59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.52 R 0.4 M 0.05 G 0.01 C Shift Assignments>> C :: 175.56 CA :: 56.38 CB :: 31.44 CG :: 24.20 CD :: 28.81 CE :: 42.10 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 :: 3.77 HB2 :: -0.06(S) HB3 :: 1.22 HG2 :: -0.10(S) HG3 :: 0.61 HD2 :: 1.00 HD3 :: 1.00 HE2 :: 2.65 HE3 :: 2.74 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 :: 130.46 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 M 0.18 R 0.08 Q 0.05 V 0.01 A 0.01 C Shift Assignments>> C :: 175.98 CA :: 54.40 CB :: 33.13 CG :: 24.20 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 :: 8.82 HA :: 4.39 HB2 :: 1.59 HB3 :: 1.42 HG2 :: 1.17 HG3 :: 1.27 HE2 :: 2.87 HE3 :: 2.87 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 :: 131.69 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.07 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.71 HA2 :: 3.52 HA3 :: 3.94 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.06 Ave N Shift Values>> N :: 109.91(4.29) N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.44 D 0.27 Y 0.09 F 0.08 L 0.06 C Shift Assignments>> C :: 174.91 CA :: 53.35 CB :: 39.27 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 :: 8.77 HA :: 4.73 HB2 :: 2.96 HB3 :: 2.78 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) V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 I 0.31 A 0.03 C Shift Assignments>> C :: 172.81 CA :: 59.66 CB :: 35.29 CG1 :: 18.09 CG2 :: 21.90 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 :: 7.50 HA :: 5.01 HB :: 2.12 HG1 :: 0.86 HG2 :: 0.85 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 :: 112.65 Ave N Shift Values>> N :: 121.02(4.96) W64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.21 Q 0.15 R 0.1 H 0.1 W 0.09 E 0.06 V 0.02 C Shift Assignments>> C :: 175.68 CA :: 55.72 CB :: 32.76 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 :: 9.09 HA :: 5.20 HB2 :: 2.79 HB3 :: 3.12 HD1 :: 7.31 HE1 :: 10.33 HE3 :: 7.11 HZ2 :: 7.19 HZ3 :: 7.22 HH2 :: 6.99 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.96 NE1 :: 129.43 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) E65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.62 E 0.35 I 0.01 C Shift Assignments>> C :: 175.96 CA :: 54.48 CB :: 35.88 CG :: 37.30 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.32 HA :: 5.97(S) HB2 :: 1.95 HB3 :: 1.95 HG2 :: 2.08 HG3 :: 2.08 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 :: 120.44 Ave N Shift Values>> N :: 120.68(3.68) V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.02 C Shift Assignments>> C :: 170.94 CA :: 60.45 CB :: 34.53 CG1 :: 19.20 CG2 :: 21.40 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 :: 8.64 HA :: 4.79 HB :: 2.27 HG1 :: 0.90 HG2 :: 0.99 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 :: 121.72 Ave N Shift Values>> N :: 121.02(4.96) K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.35 M 0.05 G 0.03 C Shift Assignments>> C :: 175.02 CA :: 54.55 CB :: 36.00 CG :: 24.50 CD :: 29.70 CE :: 42.20 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 :: 8.61 HA :: 5.29 HB2 :: 1.80 HB3 :: 1.80 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.66 HD3 :: 1.66 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 :: 125.93 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.23 CA :: 55.69 CB :: 64.80 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.88 HA :: 4.86 HB2 :: 3.73 HB3 :: 3.95 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 :: 116.55 Ave N Shift Values>> N :: 116.3(3.95) S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.14 CA :: 59.70 CB :: 63.56 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.54 HA :: 4.49 HB2 :: 4.00 HB3 :: 4.00 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 :: 118.77 Ave N Shift Values>> N :: 116.3(3.95) K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 M 0.18 R 0.07 Q 0.06 A 0.01 V 0.01 C Shift Assignments>> CA :: 53.42 CB :: 33.35 CG :: 24.30 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 :: 8.12 HA :: 4.84 HB2 :: 1.70 HB3 :: 1.87 HG2 :: 1.42 HG3 :: 1.42 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 :: 122.03 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.97 CA :: 63.97 CB :: 31.28 CG :: 28.10 CD :: 50.00 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 :: 4.11 HB2 :: 1.82 HB3 :: 2.25 HG2 :: 1.88 HG3 :: 2.20 HD2 :: 3.62 HD3 :: 3.81 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) L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.21 G 0.18 A 0.01 HN Overlap>> W54 C Shift Assignments>> C :: 177.84 CA :: 54.87 CB :: 43.70 CG :: 27.40 CD1 :: 23.90 CD2 :: 26.10 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 :: 8.67 HA :: 4.44 HB2 :: 2.00 HB3 :: 1.53 HG :: 1.76 HD1 :: 0.72 HD2 :: 0.60 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 :: 125.28 Ave N Shift Values>> N :: 121.98(4.07) V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.99 CA :: 63.42 CB :: 33.08 CG1 :: 21.20 CG2 :: 21.20 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 :: 9.36 HA :: 4.07 HB :: 2.22 HG1 :: 1.05 HG2 :: 1.05 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 :: 125.16 Ave N Shift Values>> N :: 121.02(4.96) G74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.34 R 0.19 K 0.17 D 0.1 F 0.07 Y 0.05 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.44 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.48 HA2 :: 2.00(S) HA3 :: 3.28 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.78 Ave N Shift Values>> N :: 109.91(4.29) P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 A 0.01 G 0.01 C Shift Assignments>> C :: 175.47 CA :: 61.44 CB :: 35.32 CG :: 25.20 CD :: 50.10 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 :: 4.08 HB2 :: 1.42 HB3 :: 2.11 HG2 :: 1.73 HG3 :: 1.73 HD2 :: 2.93 HD3 :: 3.22 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) F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.25 K 0.14 L 0.1 I 0.09 D 0.06 R 0.02 C Shift Assignments>> C :: 173.79 CA :: 58.37 CB :: 40.72 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 :: 8.73 HA :: 4.46 HB2 :: 2.54 HB3 :: 2.54 HD1 :: 6.90 HD2 :: 6.90 HE1 :: 7.25 HE2 :: 7.25 HZ :: 7.19 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 :: 120.10 Ave N Shift Values>> N :: 120.69(4.18) N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 N 0.29 L 0.14 K 0.04 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 173.96 CA :: 51.38 CB :: 41.02 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.75 HA :: 5.49 HB2 :: 2.67 HB3 :: 3.24 HD21 :: 7.26 HD22 :: 6.71 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 :: 120.10 ND2 :: 116.10 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 R 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 173.63 CA :: 57.45 CB :: 46.08 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 :: 9.46 HA :: 6.14 HB2 :: 3.09 HB3 :: 2.83 HD1 :: 6.90 HD2 :: 6.90 HE1 :: 6.65 HE2 :: 6.65 HZ :: 6.55 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 :: 117.25 Ave N Shift Values>> N :: 120.69(4.18) R79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.45 G 0.27 R 0.26 C Shift Assignments>> C :: 173.54 CA :: 54.52 CB :: 34.02 CG :: 25.40 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 :: 9.22 HA :: 5.26 HB2 :: 1.12 HB3 :: 0.66(S) HG2 :: 1.01 HG3 :: 1.01 HD2 :: 3.03 HD3 :: 3.03 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 :: 120.29 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.29 G 0.16 D 0.07 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 175.49 CA :: 55.26 CB :: 43.92 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 :: 9.16 HA :: 5.32 HB2 :: 3.17 HB3 :: 2.93 HD1 :: 7.24 HD2 :: 7.24 HZ :: 7.09 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 :: 122.40 Ave N Shift Values>> N :: 120.69(4.18) M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.41 C Shift Assignments>> C :: 175.79 CA :: 53.74 CB :: 35.43 CG :: 31.60 CE :: 16.70 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 :: 8.62 HA :: 5.36 HB2 :: 1.94 HB3 :: 1.94 HG2 :: 2.63 HG3 :: 2.52 HE :: 1.95 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 :: 120.03 Ave N Shift Values>> N :: 120.1(3.88) S82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.36 CA :: 57.68 CB :: 64.78 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.22 HA :: 4.97 HB2 :: 4.61 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 :: 126.36 Ave N Shift Values>> N :: 116.3(3.95) K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 G 0.02 M 0.01 C Shift Assignments>> C :: 178.36 CA :: 59.82 CB :: 32.26 CG :: 25.80 CD :: 29.20 CE :: 42.30 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 :: 9.43 HA :: 4.00 HB2 :: 1.95 HB3 :: 1.95 HG2 :: 1.40 HG3 :: 1.48 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.03 HE3 :: 3.03 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 :: 126.13 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 L 0.19 R 0.13 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.30 CA :: 44.71 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.04 HA2 :: 4.16 HA3 :: 3.73 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.20 Ave N Shift Values>> N :: 109.91(4.29) G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 R 0.01 C Shift Assignments>> C :: 174.48 CA :: 45.77 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.91 HA2 :: 4.21 HA3 :: 3.78 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.18 Ave N Shift Values>> N :: 109.91(4.29) M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.39 C Shift Assignments>> C :: 175.93 CA :: 54.18 CB :: 31.69 CG :: 32.40 CE :: 17.20 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 :: 8.64 HA :: 4.67 HB2 :: 1.96 HB3 :: 1.96 HG2 :: 2.32 HG3 :: 2.51 HE :: 2.04 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 :: 119.55 Ave N Shift Values>> N :: 120.1(3.88) R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.31 G 0.09 C Shift Assignments>> C :: 175.74 CA :: 54.27 CB :: 32.69 CG :: 27.00 CD :: 43.00 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 :: 8.84 HA :: 5.50 HB2 :: 1.72 HB3 :: 1.72 HG2 :: 1.49 HG3 :: 1.49 HD2 :: 3.05 HD3 :: 2.94 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 :: 128.65 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.3 R 0.15 D 0.05 F 0.01 Y 0.01 C Shift Assignments>> C :: 172.47 CA :: 53.88 CB :: 44.49 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 :: 8.16 HA :: 4.93 HB2 :: 2.09 HB3 :: 2.28 HD21 :: 7.74 HD22 :: 6.88 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.16 ND2 :: 111.30 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.31 CA :: 61.52 CB :: 34.39 CG1 :: 21.50 CG2 :: 21.30 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 :: 4.66 HB :: 1.80 HG1 :: 1.00 HG2 :: 0.74 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 :: 121.98 Ave N Shift Values>> N :: 121.02(4.96) F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 R 0.24 K 0.19 F 0.1 D 0.09 Y 0.07 G 0.01 C Shift Assignments>> C :: 174.21 CA :: 56.60 CB :: 42.58 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 :: 9.55 HA :: 5.05 HB2 :: 2.86 HB3 :: 3.18 HD1 :: 7.25 HD2 :: 7.25 HE1 :: 6.99 HE2 :: 6.99 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 :: 125.11 Ave N Shift Values>> N :: 120.69(4.18) D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.21 R 0.16 K 0.15 F 0.06 Y 0.04 N 0.03 G 0.01 C Shift Assignments>> C :: 176.62 CA :: 54.22 CB :: 42.44 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 :: 9.03 HA :: 5.30 HB2 :: 2.61 HB3 :: 2.61 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.66 Ave N Shift Values>> N :: 120.73(4.2) E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 E 0.39 K 0.08 L 0.04 Q 0.01 C Shift Assignments>> C :: 175.29 CA :: 57.35 CB :: 27.13 CG :: 37.20 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 :: 9.29 HA :: 3.13 HB2 :: 1.87 HB3 :: 2.06 HG2 :: 2.36 HG3 :: 2.04 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.59 Ave N Shift Values>> N :: 120.68(3.68) V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.25 CA :: 64.21 CB :: 33.54 CG1 :: 21.80 CG2 :: 23.20 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 :: 8.04 HA :: 3.91 HB :: 1.70 HG1 :: 0.58 HG2 :: 0.98 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.54 Ave N Shift Values>> N :: 121.02(4.96) I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 I 0.41 A 0.11 C Shift Assignments>> CA :: 56.95 CB :: 43.10 CG1 :: 26.80 CG2 :: 15.33 CD1 :: 13.60 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 :: 6.57 HA :: 4.23 HB :: 1.57 HG2 :: 0.75 HG12 :: 1.08 HG13 :: 0.36 HD1 :: 0.36 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 :: 114.76 Ave N Shift Values>> N :: 121.6(4.72) P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.65 CA :: 62.18 CB :: 32.25 CG :: 26.00 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 :: 4.22 HB2 :: 1.94 HB3 :: 2.16 HG2 :: 1.69 HG3 :: 2.13 HD2 :: 3.16 HD3 :: 3.56 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) T96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.57 CA :: 66.53 CB :: 68.37 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 :: 7.91 HA :: 3.67 HB :: 3.80 HG2 :: 1.23 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.34 Ave N Shift Values>> N :: 115.7(5.05) A97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 G 0.01 C Shift Assignments>> C :: 176.70 CA :: 49.87 CB :: 15.78 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 :: 4.45 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 :: 122.20 Ave N Shift Values>> N :: 123.23(3.7) F98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.23 D 0.16 N 0.14 L 0.06 I 0.04 E 0.04 C Shift Assignments>> C :: 175.02 CA :: 56.03 CB :: 38.95 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 :: 7.10 HA :: 4.61 HB2 :: 3.19 HB3 :: 3.10 HD1 :: 7.30 HD2 :: 7.30 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.89 Ave N Shift Values>> N :: 120.69(4.18) S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.13 CA :: 56.87 CB :: 64.99 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.09 HA :: 5.01 HB2 :: 3.72 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 :: 114.54 Ave N Shift Values>> N :: 116.3(3.95) I100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.48 CA :: 63.50 CB :: 36.88 CG1 :: 29.00 CG2 :: 17.55 CD1 :: 12.98 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 :: 8.93 HA :: 3.64 HB :: 1.94 HG2 :: 0.95 HG12 :: 1.45 HG13 :: 1.85 HD1 :: 1.14 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 :: 126.36 Ave N Shift Values>> N :: 121.6(4.72) G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 L 0.15 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.43 CA :: 44.92 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.03 HA2 :: 3.76 HA3 :: 4.40 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.81 Ave N Shift Values>> N :: 109.91(4.29) K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.56 R 0.38 G 0.02 M 0.01 C Shift Assignments>> C :: 174.82 CA :: 55.87 CB :: 33.96 CG :: 25.50 CD :: 29.00 CE :: 42.50 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 :: 7.71 HA :: 4.39 HB2 :: 1.90 HB3 :: 1.72 HG2 :: 1.25 HG3 :: 0.79 HD2 :: 1.65 HD3 :: 1.65 HE2 :: 2.85 HE3 :: 2.93 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.16 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.59 CA :: 62.01 CB :: 69.88 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 :: 8.29 HA :: 5.17 HB :: 3.87 HG2 :: 1.16 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 :: 120.32 Ave N Shift Values>> N :: 115.7(5.05) Y104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.19 L 0.17 Y 0.15 R 0.08 D 0.08 I 0.03 C Shift Assignments>> C :: 174.50 CA :: 57.51 CB :: 41.48 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 :: 9.80 HA :: 4.83 HB2 :: 3.22 HB3 :: 2.62 HD1 :: 7.30 HD2 :: 7.30 HE1 :: 7.00 HE2 :: 7.00 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 :: 127.52 Ave N Shift Values>> N :: 120.79(4.69) K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.87 M 0.09 A 0.03 C Shift Assignments>> CA :: 53.35 CB :: 34.64 CG :: 24.20 CD :: 29.40 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 :: 8.98 HA :: 5.15 HB2 :: 1.84 HB3 :: 1.94 HG2 :: 1.47 HG3 :: 1.47 HD2 :: 1.68 HD3 :: 1.68 HE2 :: 2.96 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 :: 121.75 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.27 CA :: 62.87 CB :: 32.55 CG :: 27.60 CD :: 51.20 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 :: 4.63 HB2 :: 2.06 HB3 :: 2.40 HG2 :: 1.35 HG3 :: 1.66 HD2 :: 3.87 HD3 :: 3.53 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) E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 W 0.15 E 0.15 Q 0.12 M 0.1 K 0.08 I 0.01 V 0.01 C Shift Assignments>> C :: 175.74 CA :: 56.68 CB :: 30.61 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 :: 8.84 HA :: 4.41 HB2 :: 2.08 HB3 :: 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 :: 122.65 Ave N Shift Values>> N :: 120.68(3.68) E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 R 0.16 E 0.14 K 0.12 H 0.11 M 0.11 Q 0.07 V 0.05 I 0.02 C Shift Assignments>> CA :: 58.21 CB :: 31.35 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 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.41 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 98 #Clerical: 0 #Suspicious: 8 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 98 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 108 #Suspicious: 0 C Shift Results: #Consistent: 384 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 576 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 2 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: D24 H = 10.67(S), Expected = 8.33, Std = 0.5700, ChiSquare = 4.0385e-05 V44 HG2 = -0.44(S), Expected = 0.83, Std = 0.2900, ChiSquare = 1.1906e-05 E45 CB = 36.46(S), Expected = 30.07, Std = 1.8400, ChiSquare = 5.1501e-04 R47 HB2 = -0.76(M), Expected = 1.79, Std = 0.2800, ChiSquare = 8.4580e-20 R47 HB3 = 0.50(S), Expected = 1.78, Std = 0.2800, ChiSquare = 4.8441e-06 R47 HG2 = 0.53(S), Expected = 1.58, Std = 0.2700, ChiSquare = 1.0070e-04 R47 HD3 = 1.26(S), Expected = 3.13, Std = 0.2200, ChiSquare = 1.8959e-17 Q48 HE21 = 9.51(M), Expected = 7.17, Std = 0.4600, ChiSquare = 3.6386e-07 L57 CG = 31.30(S), Expected = 26.77, Std = 1.2500, ChiSquare = 2.9008e-04 K59 HB2 = -0.06(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.3618e-13 K59 HG2 = -0.10(S), Expected = 1.38, Std = 0.2700, ChiSquare = 4.2178e-08 E65 HA = 5.97(S), Expected = 4.26, Std = 0.4300, ChiSquare = 6.9865e-05 G74 HA2 = 2.00(S), Expected = 3.95, Std = 0.4000, ChiSquare = 1.0881e-06 R79 HB3 = 0.66(S), Expected = 1.78, Std = 0.2800, ChiSquare = 6.3342e-05