Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Y15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.09 K 0.08 Q 0.05 I 0.04 C Shift Assignments>> C :: 176.26 CA :: 56.76 CB :: 30.19 CG :: 36.17 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 :: 8.33 HA :: 4.23 HB2 :: 2.03 HB3 :: 1.92 HG2 :: 2.20 HG3 :: 2.20 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 :: 120.62 Ave N Shift Values>> N :: 120.68(3.68) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.18 M 0.03 C Shift Assignments>> C :: 176.21 CA :: 56.16 CB :: 32.82 CG :: 24.68 CD :: 28.93 CE :: 41.97 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 :: 8.28 HA :: 4.32 HB2 :: 1.78 HB3 :: 1.73 HG2 :: 1.40 HG3 :: 1.34 HD2 :: 1.63 HD3 :: 1.63 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 :: 121.95 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.60 CA :: 61.61 CB :: 33.18 CG1 :: 21.00 CG2 :: 20.59 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 :: 8.08 HA :: 4.16 HB :: 1.99 HG11 :: 0.84 HG12 :: 0.84 HG13 :: 0.84 HG21 :: 0.88 HG22 :: 0.88 HG23 :: 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 :: 121.80 Ave N Shift Values>> N :: 121.02(4.96) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 172.79 CA :: 63.17 CB :: 69.78 CG2 :: 21.84 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 :: 8.44 HA :: 4.19 HB :: 4.12 HG21 :: 1.12 HG22 :: 1.12 HG23 :: 1.12 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 :: 123.24 Ave N Shift Values>> N :: 115.7(5.05) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.2 G 0.06 R 0.05 A 0.01 C Shift Assignments>> C :: 176.02 CA :: 53.80 CB :: 42.96 CG :: 26.77 CD1 :: 25.25 CD2 :: 23.80 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 :: 8.45 HA :: 4.86 HB2 :: 1.69 HB3 :: 1.25 HG :: 1.59 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 HD21 :: 0.74 HD22 :: 0.74 HD23 :: 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 :: 127.58 Ave N Shift Values>> N :: 121.98(4.07) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.3 C Shift Assignments>> C :: 174.02 CA :: 62.02 CB :: 33.95 CG1 :: 22.06 CG2 :: 20.26 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 :: 8.90 HA :: 4.15 HB :: 1.83 HG11 :: 1.11 HG12 :: 1.11 HG13 :: 1.11 HG21 :: 0.45 HG22 :: 0.45 HG23 :: 0.45 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 :: 126.02 Ave N Shift Values>> N :: 121.02(4.96) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 L 0.1 N 0.09 M 0.08 A 0.08 H 0.07 C 0.06 Q 0.05 R 0.05 K 0.05 W 0.04 E 0.03 Y 0.03 F 0.03 S 0.01 C Shift Assignments>> C :: 178.84 CA :: 54.57 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 :: 8.96 HA :: 4.83 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 :: 125.57 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 C Shift Assignments>> C :: 177.31 CA :: 65.10 CB :: 37.15 CG1 :: 29.69 CG2 :: 16.99 CD1 :: 14.13 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.88 HA :: 4.30 HB :: 2.22 HG12 :: 1.62 HG13 :: 1.37 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 HD11 :: 1.05 HD12 :: 1.05 HD13 :: 1.05 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.27 Ave N Shift Values>> N :: 121.6(4.72) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.42 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 180.27 CA :: 54.98 CB :: 18.74 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 :: 4.27 HB1 :: 1.40 HB2 :: 1.40 HB3 :: 1.40 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.36 Ave N Shift Values>> N :: 123.23(3.7) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 L 0.18 F 0.13 C 0.11 Y 0.1 D 0.1 R 0.09 I 0.01 N 0.01 C Shift Assignments>> C :: 179.07 CA :: 56.85 CB :: 41.66 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 :: 7.15 HA :: 4.53 HB2 :: 3.31 HB3 :: 3.03 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.08 Ave N Shift Values>> N :: 120.73(4.2) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.27 L 0.21 G 0.07 K 0.01 C Shift Assignments>> C :: 177.75 CA :: 59.34 CB :: 42.99 CG :: 27.40 CD1 :: 27.24 CD2 :: 25.90 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 :: 8.02 HA :: 4.24 HB2 :: 2.17 HB3 :: 1.77 HG :: 1.85 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.93 HD22 :: 0.93 HD23 :: 0.93 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 :: 123.32 Ave N Shift Values>> N :: 121.98(4.07) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.27 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.29 CA :: 59.60 CB :: 29.39 CG :: 36.76 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 :: 8.78 HA :: 3.99 HB2 :: 2.08 HB3 :: 1.98 HG2 :: 2.54 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 :: 118.14 Ave N Shift Values>> N :: 120.68(3.68) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 F 0.15 E 0.1 N 0.1 D 0.06 I 0.04 M 0.02 L 0.02 C Shift Assignments>> C :: 177.22 CA :: 56.28 CB :: 38.07 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 :: 8.27 HA :: 4.40 HB2 :: 2.93 HB3 :: 2.85 HD21 :: 6.97 HD22 :: 7.69 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 :: 116.90 ND2 :: 112.45 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.41 C 0.3 H 0.27 C Shift Assignments>> C :: 178.16 CA :: 59.72 CB :: 28.72 CE1 :: 136.67 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.84 HA :: 3.79 HB2 :: 2.47 HB3 :: 2.33 HE1 :: 8.07 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.33 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 N 0.17 E 0.17 M 0.11 Y 0.07 K 0.05 F 0.03 Q 0.02 D 0.01 C Shift Assignments>> C :: 175.36 CA :: 54.27 CB :: 36.21 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 :: 8.25 HA :: 4.45 HB2 :: 2.85 HB3 :: 2.85 HD21 :: 7.28 HD22 :: 7.66 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 :: 120.01 ND2 :: 115.62 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 C 0.22 Y 0.16 F 0.11 D 0.1 E 0.07 L 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 176.40 CA :: 54.98 CB :: 38.13 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 :: 8.60 HA :: 4.58 HB2 :: 2.93 HB3 :: 2.85 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.19 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.17 N 0.13 C 0.11 K 0.09 F 0.07 Y 0.06 R 0.02 C Shift Assignments>> C :: 176.14 CA :: 53.91 CB :: 40.99 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 :: 7.29 HA :: 4.81 HB2 :: 2.72 HB3 :: 2.48 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.88 Ave N Shift Values>> N :: 120.73(4.2) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 174.92 CA :: 45.22 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.59 HA2 :: 4.28 HA3 :: 3.68 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.24 Ave N Shift Values>> N :: 109.91(4.29) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.27 G 0.13 C 0.09 D 0.04 F 0.03 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.66 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.35 HA2 :: 4.07 HA3 :: 2.87 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.37 Ave N Shift Values>> N :: 109.91(4.29) 1.F40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.36 C 0.35 F 0.28 C Shift Assignments>> C :: 173.47 CA :: 55.68 CB :: 39.08 CD1 :: 129.91 CE1 :: 129.26 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 4.98 HB2 :: 3.39 HB3 :: 2.99 HD1 :: 7.13 HD2 :: 7.13 HE1 :: 7.32 HE2 :: 7.32 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) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 W 0.14 C Shift Assignments>> C :: 176.92 CA :: 53.19 CB :: 32.57 CD1 :: 121.49 CZ2 :: 114.38 CZ3 :: 121.28 CH2 :: 124.44 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 :: 10.36 HA :: 6.26 HB2 :: 3.18 HB3 :: 2.83 HD1 :: 7.14 HE1 :: 9.72 HZ2 :: 7.07 HZ3 :: 6.66 HH2 :: 7.01 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 :: 127.83 NE1 :: 128.37 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 170.95 CA :: 60.87 CB :: 71.51 CG2 :: 20.15 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 :: 8.82 HA :: 4.80 HB :: 3.81 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 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 :: 116.00 Ave N Shift Values>> N :: 115.7(5.05) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 176.47 CA :: 61.54 CB :: 32.27 CG1 :: 20.48 CG2 :: 20.89 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.14 HA :: 4.83 HB :: 1.66 HG11 :: 0.50 HG12 :: 0.50 HG13 :: 0.50 HG21 :: 0.08 HG22 :: 0.08 HG23 :: 0.08 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.85 Ave N Shift Values>> N :: 121.02(4.96) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.05 CA :: 60.88 CB :: 40.83 CG1 :: 26.94 CG2 :: 17.13 CD1 :: 13.64 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.35 HA :: 4.22 HB :: 1.67 HG12 :: 1.32 HG13 :: 0.93 HG21 :: 0.70 HG22 :: 0.70 HG23 :: 0.70 HD11 :: 0.41 HD12 :: 0.41 HD13 :: 0.41 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 :: 128.46 Ave N Shift Values>> N :: 121.6(4.72) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 C 0.15 N 0.14 Y 0.14 F 0.14 L 0.1 K 0.03 I 0.01 C Shift Assignments>> C :: 176.06 CA :: 55.17 CB :: 39.87 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 :: 9.45 HA :: 4.32 HB2 :: 3.02 HB3 :: 2.51 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 :: 129.73 Ave N Shift Values>> N :: 120.73(4.2) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 173.15 CA :: 46.19 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.36 HA2 :: 4.26 HA3 :: 3.69 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.38 Ave N Shift Values>> N :: 109.91(4.29) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.31 K 0.26 G 0.01 C Shift Assignments>> C :: 177.05 CA :: 54.87 CB :: 36.02 CG :: 25.85 CD :: 28.95 CE :: 42.35 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 :: 8.00 HA :: 4.78 HB2 :: 1.86 HB3 :: 1.40 HG2 :: 1.51 HG3 :: 1.30 HD2 :: 1.74 HD3 :: 1.68 HE2 :: 3.05 HE3 :: 3.05 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 :: 121.33 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V48 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 :: 174.64 CA :: 60.80 CB :: 32.31 CG1 :: 21.82 CG2 :: 21.95 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 :: 8.16 HA :: 4.45 HB :: 1.16 HG11 :: 0.60 HG12 :: 0.60 HG13 :: 0.60 HG21 :: 0.31 HG22 :: 0.31 HG23 :: 0.31 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 :: 119.88 Ave N Shift Values>> N :: 121.02(4.96) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 C 0.39 G 0.18 C Shift Assignments>> C :: 174.54 CA :: 56.64 CB :: 43.42 CD1 :: 132.69 CE1 :: 118.01 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 :: 9.13 HA :: 5.20 HB2 :: 2.48 HB3 :: 2.29 HD1 :: 6.74 HD2 :: 6.74 HE1 :: 6.78 HE2 :: 6.78 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.89 Ave N Shift Values>> N :: 120.79(4.69) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.18 L 0.16 C 0.11 K 0.07 F 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 176.02 CA :: 53.18 CB :: 40.91 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.00 HA :: 5.33 HB2 :: 3.48 HB3 :: 2.49 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 :: 119.79 Ave N Shift Values>> N :: 120.73(4.2) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.32 HN Overlap>> 1.I64 1.I64 C Shift Assignments>> C :: 178.07 CA :: 60.75 CB :: 35.23 CG1 :: 26.76 CG2 :: 18.25 CD1 :: 10.10 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 :: 8.70 HA :: 3.71 HB :: 1.51 HG12 :: 1.22 HG13 :: 0.62 HG21 :: 0.50 HG22 :: 0.50 HG23 :: 0.50 HD11 :: 0.32 HD12 :: 0.32 HD13 :: 0.32 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.27 Ave N Shift Values>> N :: 121.6(4.72) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.22 M 0.01 C Shift Assignments>> C :: 179.54 CA :: 59.38 CB :: 31.93 CG :: 25.21 CD :: 28.93 CE :: 42.08 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.03 HA :: 4.34 HB2 :: 2.12 HB3 :: 2.25 HG2 :: 1.66 HG3 :: 1.70 HD2 :: 1.87 HD3 :: 1.87 HE2 :: 3.06 HE3 :: 3.06 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.52 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 F 0.16 L 0.16 Y 0.13 C 0.13 D 0.11 R 0.05 I 0.02 N 0.01 C Shift Assignments>> C :: 177.67 CA :: 56.84 CB :: 41.22 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 :: 7.81 HA :: 4.62 HB2 :: 2.93 HB3 :: 2.88 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.59 Ave N Shift Values>> N :: 120.73(4.2) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.35 C 0.23 C Shift Assignments>> C :: 176.96 CA :: 60.67 CB :: 38.87 CD1 :: 131.33 CE1 :: 131.35 CZ :: 128.41 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 :: 7.66 HA :: 3.10 HB2 :: 2.86 HB3 :: 2.29 HD1 :: 6.58 HD2 :: 6.58 HE1 :: 7.11 HE2 :: 7.11 HZ :: 6.62 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 :: 120.48 Ave N Shift Values>> N :: 120.69(4.18) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.22 Q 0.18 K 0.17 I 0.05 M 0.04 R 0.01 C Shift Assignments>> C :: 178.51 CA :: 58.98 CB :: 29.45 CG :: 34.70 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 :: 8.86 HA :: 3.66 HB2 :: 2.20 HB3 :: 2.20 HG2 :: 2.51 HG3 :: 2.32 HE21 :: 6.93 HE22 :: 7.51 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.06 NE2 :: 111.02 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.55 CA :: 66.07 CB :: 69.03 CG2 :: 21.57 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 :: 8.15 HA :: 3.93 HB :: 4.46 HG21 :: 1.28 HG22 :: 1.28 HG23 :: 1.28 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 :: 115.13 Ave N Shift Values>> N :: 115.7(5.05) 1.Q57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.12 R 0.06 I 0.02 M 0.02 HN Overlap>> 1.Q103 1.Q103 C Shift Assignments>> CA :: 58.05 CB :: 28.29 CG :: 34.02 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.23 HA :: 4.21 HB2 :: 2.01 HB3 :: 2.27 HG2 :: 2.64 HG3 :: 2.61 HE21 :: 6.81 HE22 :: 7.93 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 :: 119.67 NE2 :: 113.93 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.02 CA :: 60.50 CB :: 63.09 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.12 HB2 :: 3.59 HB3 :: 3.42 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) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.18 D 0.17 R 0.12 C 0.1 F 0.07 Y 0.05 N 0.02 C Shift Assignments>> CA :: 55.14 CB :: 42.10 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 :: 7.32 HA :: 4.34 HB2 :: 1.68 HB3 :: 1.68 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.25 Ave N Shift Values>> N :: 121.98(4.07) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.90 CA :: 62.32 CB :: 70.11 CG2 :: 21.71 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 :: 7.51 HA :: 4.25 HB :: 4.34 HG21 :: 1.30 HG22 :: 1.30 HG23 :: 1.30 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 :: 112.82 Ave N Shift Values>> N :: 115.7(5.05) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 K 0.09 I 0.09 M 0.06 Q 0.05 C Shift Assignments>> C :: 176.72 CA :: 57.84 CB :: 29.84 CG :: 36.14 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 :: 8.51 HA :: 4.10 HB2 :: 2.02 HB3 :: 2.02 HG2 :: 2.29 HG3 :: 2.29 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 :: 123.41 Ave N Shift Values>> N :: 120.68(3.68) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.2 D 0.12 Y 0.1 F 0.07 E 0.03 L 0.02 M 0.01 C Shift Assignments>> C :: 174.94 CA :: 53.76 CB :: 38.13 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 :: 8.60 HA :: 4.58 HB2 :: 2.93 HB3 :: 2.86 HD21 :: 6.94 HD22 :: 7.69 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 :: 117.76 ND2 :: 113.54 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.32 CA :: 58.73 CB :: 64.21 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.80 HA :: 4.40 HB2 :: 4.11 HB3 :: 3.77 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 :: 114.61 Ave N Shift Values>> N :: 116.3(3.95) 1.I64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 HN Overlap>> 1.I51 1.I51 C Shift Assignments>> C :: 176.55 CA :: 63.28 CB :: 38.11 CG1 :: 27.98 CG2 :: 17.62 CD1 :: 13.75 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.71 HA :: 4.18 HB :: 2.00 HG12 :: 1.49 HG13 :: 1.32 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.24 Ave N Shift Values>> N :: 121.6(4.72) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 R 0.06 A 0.04 C Shift Assignments>> C :: 177.80 CA :: 54.82 CB :: 41.79 CG :: 26.91 CD1 :: 25.74 CD2 :: 22.93 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 :: 8.16 HA :: 4.45 HB2 :: 1.58 HB3 :: 1.58 HG :: 1.67 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.98 HD22 :: 0.98 HD23 :: 0.98 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.98 Ave N Shift Values>> N :: 121.98(4.07) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 C 0.03 I 0.03 C Shift Assignments>> C :: 179.87 CA :: 54.98 CB :: 18.37 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.70 HA :: 4.26 HB1 :: 1.50 HB2 :: 1.50 HB3 :: 1.50 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.83 Ave N Shift Values>> N :: 123.23(3.7) 1.Q67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.26 C 0.26 R 0.2 Q 0.18 M 0.05 E 0.02 C Shift Assignments>> C :: 175.99 CA :: 57.17 CB :: 28.18 CG :: 32.44 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.92 HA :: 4.11 HB2 :: 1.85 HB3 :: 1.69 HG2 :: 1.72 HG3 :: 1.05(S) HE21 :: 6.74 HE22 :: 7.32 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.03 NE2 :: 111.81 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.35 C 0.27 C Shift Assignments>> C :: 175.62 CA :: 57.22 CB :: 39.32 CD1 :: 131.54 CE1 :: 129.64 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.79 HA :: 4.69 HB2 :: 3.47 HB3 :: 2.84 HD1 :: 7.28 HD2 :: 7.28 HE1 :: 7.10 HE2 :: 7.10 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 :: 118.56 Ave N Shift Values>> N :: 120.69(4.18) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 178.25 CA :: 53.92 CB :: 18.66 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.60 HA :: 4.12 HB1 :: 1.41 HB2 :: 1.41 HB3 :: 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 :: 123.34 Ave N Shift Values>> N :: 123.23(3.7) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.07 CA :: 45.39 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.50 HA2 :: 4.03 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 :: 108.77 Ave N Shift Values>> N :: 109.91(4.29) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 M 0.19 Q 0.05 K 0.05 I 0.01 C Shift Assignments>> C :: 176.22 CA :: 55.43 CB :: 30.98 CG :: 36.09 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.80 HA :: 4.43 HB2 :: 2.17 HB3 :: 1.99 HG2 :: 2.47 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 :: 119.39 Ave N Shift Values>> N :: 120.68(3.68) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 C 0.12 N 0.1 K 0.08 R 0.07 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> CA :: 52.11 CB :: 42.07 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 :: 8.83 HA :: 4.85 HB2 :: 2.79 HB3 :: 2.70 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.83 Ave N Shift Values>> N :: 120.73(4.2) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.29 CA :: 64.94 CB :: 32.13 CG :: 27.15 CD :: 50.77 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.41 HB2 :: 2.26 HB3 :: 1.87 HG2 :: 2.09 HG3 :: 2.01 HD2 :: 3.86 HD3 :: 4.05 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.54 CA :: 66.82 CB :: 31.31 CG1 :: 21.50 CG2 :: 23.71 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 :: 7.95 HA :: 3.36 HB :: 2.15 HG11 :: 0.86 HG12 :: 0.86 HG13 :: 0.86 HG21 :: 1.01 HG22 :: 1.01 HG23 :: 1.01 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 :: 118.67 Ave N Shift Values>> N :: 121.02(4.96) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.06 C Shift Assignments>> C :: 175.05 CA :: 65.44 CB :: 32.21 CG1 :: 22.43 CG2 :: 20.74 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 :: 7.09 HA :: 3.62 HB :: 2.14 HG11 :: 1.03 HG12 :: 1.03 HG13 :: 1.03 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.34 Ave N Shift Values>> N :: 121.02(4.96) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 A 0.45 C 0.04 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 178.16 CA :: 54.84 CB :: 19.25 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.05 HA :: 3.87 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.91 Ave N Shift Values>> N :: 123.23(3.7) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 C Shift Assignments>> C :: 178.01 CA :: 58.26 CB :: 39.97 CG :: 26.87 CD1 :: 25.94 CD2 :: 24.09 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.72 HA :: 3.17 HB2 :: 1.06 HB3 :: 0.39 HG :: 0.66 HD11 :: -0.00 HD12 :: -0.00 HD13 :: -0.00 HD21 :: 0.07 HD22 :: 0.07 HD23 :: 0.07 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.03 Ave N Shift Values>> N :: 121.98(4.07) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.32 E 0.25 K 0.02 C Shift Assignments>> C :: 179.14 CA :: 60.29 CB :: 29.42 CG :: 37.11 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.84 HA :: 3.51 HB2 :: 1.97 HB3 :: 1.88 HG2 :: 2.28 HG3 :: 1.97 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.99 Ave N Shift Values>> N :: 120.68(3.68) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.4 I 0.03 C 0.02 C Shift Assignments>> C :: 180.36 CA :: 54.79 CB :: 17.93 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.71 HA :: 3.94 HB1 :: 1.32 HB2 :: 1.32 HB3 :: 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 :: 120.69 Ave N Shift Values>> N :: 123.23(3.7) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.38 C 0.03 I 0.01 C Shift Assignments>> C :: 180.57 CA :: 54.16 CB :: 18.83 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.22 HA :: 3.97 HB1 :: 1.30 HB2 :: 1.30 HB3 :: 1.30 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.23 Ave N Shift Values>> N :: 123.23(3.7) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.3 R 0.13 G 0.03 C Shift Assignments>> C :: 177.59 CA :: 56.65 CB :: 42.63 CG :: 27.09 CD1 :: 25.62 CD2 :: 23.35 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.80 HA :: 3.89 HB2 :: 1.75 HB3 :: 1.34 HG :: 1.35 HD11 :: 0.27 HD12 :: 0.27 HD13 :: 0.27 HD21 :: 0.72 HD22 :: 0.72 HD23 :: 0.72 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.15 Ave N Shift Values>> N :: 121.98(4.07) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.24 E 0.11 M 0.07 R 0.05 C Shift Assignments>> C :: 176.12 CA :: 55.88 CB :: 29.33 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 :: 7.45 HA :: 4.25 HB2 :: 2.12 HB3 :: 1.90 HG2 :: 2.27 HG3 :: 2.27 HE21 :: 6.85 HE22 :: 7.48 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.74 NE2 :: 112.42 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.32 C 0.29 C Shift Assignments>> C :: 176.47 CA :: 56.26 CB :: 39.00 CD1 :: 131.63 CE1 :: 131.68 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 :: 7.30 HA :: 4.90 HB2 :: 3.47 HB3 :: 3.33 HD1 :: 7.55 HD2 :: 7.55 HE1 :: 7.46 HE2 :: 7.46 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 :: 120.42 Ave N Shift Values>> N :: 120.69(4.18) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.21 K 0.06 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.01 CA :: 59.91 CB :: 29.64 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 :: 9.09 HA :: 3.85 HB2 :: 2.06 HB3 :: 1.98 HG2 :: 2.32 HG3 :: 2.32 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 :: 126.26 Ave N Shift Values>> N :: 120.68(3.68) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 D 0.17 Y 0.16 C 0.14 L 0.14 K 0.09 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 177.53 CA :: 56.29 CB :: 40.48 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 :: 7.67 HA :: 4.48 HB2 :: 2.74 HB3 :: 2.46 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.07 Ave N Shift Values>> N :: 120.73(4.2) 1.T86 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 :: 176.82 CA :: 62.38 CB :: 70.20 CG2 :: 22.78 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 :: 7.56 HA :: 4.53 HB :: 4.41 HG21 :: 1.31 HG22 :: 1.31 HG23 :: 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 :: 106.64 Ave N Shift Values>> N :: 115.7(5.05) 1.R87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.38 G 0.19 K 0.03 C Shift Assignments>> C :: 178.76 CA :: 61.14 CB :: 30.22 CG :: 26.50 CD :: 43.66 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 :: 8.10 HA :: 4.02 HB2 :: 1.90 HB3 :: 1.76 HG2 :: 1.71 HG3 :: 1.55 HD2 :: 3.22 HD3 :: 3.16 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.22 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.31 I 0.24 K 0.06 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.32 CA :: 59.15 CB :: 28.93 CG :: 36.63 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 :: 4.09 HB2 :: 2.12 HB3 :: 2.03 HG2 :: 2.40 HG3 :: 2.30 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 :: 118.79 Ave N Shift Values>> N :: 120.68(3.68) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G112 1.G112 C Shift Assignments>> C :: 176.10 CA :: 61.00 CB :: 63.19 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.14 HA :: 4.39 HB2 :: 4.03 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 :: 115.57 Ave N Shift Values>> N :: 116.3(3.95) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.33 A 0.26 C Shift Assignments>> C :: 177.99 CA :: 55.14 CB :: 32.77 CG :: 32.62 CE :: 19.30 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.69 HA :: 4.92 HB2 :: 2.30 HB3 :: 1.95 HG2 :: 2.71 HG3 :: 2.39 HE1 :: 1.95 HE2 :: 1.95 HE3 :: 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 :: 118.16 Ave N Shift Values>> N :: 120.1(3.88) 1.H91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.38 H 0.31 C 0.29 C Shift Assignments>> C :: 177.46 CA :: 58.83 CB :: 29.68 CD2 :: 119.94 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.74 HA :: 4.43 HB2 :: 3.26 HB3 :: 3.19 HD2 :: 7.16 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.99 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 177.85 CA :: 53.84 CB :: 18.25 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.23 HA :: 3.90 HB1 :: 0.87 HB2 :: 0.87 HB3 :: 0.87 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.17 Ave N Shift Values>> N :: 123.23(3.7) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.37 F 0.34 C 0.28 C Shift Assignments>> C :: 174.00 CA :: 56.42 CB :: 39.05 CD1 :: 131.76 CE1 :: 131.76 CZ :: 129.34 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 :: 7.42 HA :: 4.97 HB2 :: 3.87 HB3 :: 2.94 HD1 :: 7.55 HD2 :: 7.55 HE1 :: 7.33 HE2 :: 7.33 HZ :: 7.15 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.91 Ave N Shift Values>> N :: 120.69(4.18) 1.C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 C 0.12 Q 0.11 K 0.1 I 0.1 L 0.1 W 0.09 H 0.07 E 0.06 C Shift Assignments>> C :: 174.90 CA :: 58.20 CB :: 27.32 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.69 HA :: 4.12 HB2 :: 2.65 HB3 :: 2.60 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 :: 121.19 Ave N Shift Values>> N :: 119.95(4.79) 1.V95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.64 CA :: 62.25 CB :: 32.28 CG1 :: 20.47 CG2 :: 18.59 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 :: 8.77 HA :: 3.82 HB :: 1.22 HG11 :: 0.20 HG12 :: 0.20 HG13 :: 0.20 HG21 :: -0.38(S) HG22 :: -0.38(S) HG23 :: -0.38(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 :: 128.31 Ave N Shift Values>> N :: 121.02(4.96) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 171.22 CA :: 44.94 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.13 HA2 :: 4.07 HA3 :: 3.83 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.33 Ave N Shift Values>> N :: 109.91(4.29) 1.Q97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 M 0.25 Q 0.24 K 0.12 E 0.1 R 0.01 C Shift Assignments>> C :: 174.07 CA :: 54.86 CB :: 30.82 CG :: 33.83 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 :: 8.59 HA :: 4.46 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 2.32 HG3 :: 2.23 HE21 :: 6.84 HE22 :: 7.46 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 :: 120.50 NE2 :: 111.54 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y98 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 :: 174.46 CA :: 56.66 CB :: 40.45 CD1 :: 132.96 CE1 :: 117.82 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 :: 8.44 HA :: 4.96 HB2 :: 2.51 HB3 :: 2.44 HD1 :: 6.83 HD2 :: 6.83 HE1 :: 6.58 HE2 :: 6.58 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 :: 125.46 Ave N Shift Values>> N :: 120.79(4.69) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.18 G 0.09 R 0.04 C Shift Assignments>> C :: 173.79 CA :: 53.11 CB :: 43.20 CG :: 26.71 CD1 :: 25.15 CD2 :: 24.58 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 :: 8.10 HA :: 4.36 HB2 :: 1.46 HB3 :: 1.09 HG :: 1.33 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 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 :: 131.67 Ave N Shift Values>> N :: 121.98(4.07) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.33 K 0.13 Q 0.07 M 0.05 I 0.02 C Shift Assignments>> CA :: 54.54 CB :: 29.27 CG :: 36.13 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.16 HA :: 4.14 HB2 :: 2.07 HB3 :: 1.82 HG2 :: 2.32 HG3 :: 2.32 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 :: 125.12 Ave N Shift Values>> N :: 120.68(3.68) 1.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 C Shift Assignments>> C :: 177.37 CA :: 64.05 CB :: 32.13 CG :: 27.55 CD :: 50.59 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 :: 4.38 HB2 :: 2.36 HB3 :: 1.96 HG2 :: 2.11 HG3 :: 2.11 HD2 :: 3.86 HD3 :: 3.86 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) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.16 C 0.12 N 0.12 F 0.11 Y 0.09 K 0.08 R 0.01 C Shift Assignments>> C :: 176.95 CA :: 54.68 CB :: 40.63 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 :: 8.43 HA :: 4.55 HB2 :: 2.70 HB3 :: 2.70 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 :: 118.47 Ave N Shift Values>> N :: 120.73(4.2) 1.Q103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.11 M 0.1 R 0.04 HN Overlap>> 1.Q57 1.Q57 C Shift Assignments>> C :: 176.21 CA :: 55.64 CB :: 29.63 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 :: 8.23 HA :: 4.34 HB2 :: 2.18 HB3 :: 1.99 HG2 :: 2.35 HG3 :: 2.35 HE21 :: 6.84 HE22 :: 7.60 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 :: 119.65 NE2 :: 112.93 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 M 0.09 I 0.07 K 0.06 Q 0.03 C Shift Assignments>> C :: 177.10 CA :: 57.22 CB :: 30.32 CG :: 36.48 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 :: 8.25 HA :: 4.22 HB2 :: 2.07 HB3 :: 1.98 HG2 :: 2.22 HG3 :: 2.22 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.67 Ave N Shift Values>> N :: 120.68(3.68) 1.G105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.00 CA :: 45.41 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.45 HA2 :: 3.95 HA3 :: 3.95 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.87 Ave N Shift Values>> N :: 109.91(4.29) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.30 CA :: 62.19 CB :: 32.86 CG1 :: 21.07 CG2 :: 20.41 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 :: 4.19 HB :: 2.08 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 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 :: 119.33 Ave N Shift Values>> N :: 121.02(4.96) 1.T107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.05 CA :: 61.87 CB :: 69.91 CG2 :: 21.64 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 :: 8.32 HA :: 4.35 HB :: 4.09 HG21 :: 1.15 HG22 :: 1.15 HG23 :: 1.15 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 :: 119.48 Ave N Shift Values>> N :: 115.7(5.05) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.01 C Shift Assignments>> CA :: 58.41 CB :: 38.53 CG1 :: 26.90 CG2 :: 17.17 CD1 :: 12.57 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 :: 8.36 HA :: 4.47 HB :: 1.88 HG12 :: 1.51 HG13 :: 1.17 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 HD11 :: 0.85 HD12 :: 0.85 HD13 :: 0.85 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 :: 126.14 Ave N Shift Values>> N :: 121.6(4.72) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.29 CA :: 63.21 CB :: 32.22 CG :: 27.24 CD :: 51.08 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.38 HB2 :: 2.27 HB3 :: 1.88 HG2 :: 2.01 HG3 :: 1.97 HD2 :: 3.71 HD3 :: 3.86 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) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.1 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.20 CA :: 54.29 CB :: 41.12 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 :: 8.37 HA :: 4.58 HB2 :: 2.73 HB3 :: 2.60 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.47 Ave N Shift Values>> N :: 120.73(4.2) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.25 K 0.03 A 0.02 G 0.02 C Shift Assignments>> C :: 177.04 CA :: 55.06 CB :: 42.29 CD1 :: 25.15 CD2 :: 23.19 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.25 HA :: 4.37 HB2 :: 1.66 HB3 :: 1.66 HD11 :: 0.92 HD12 :: 0.92 HD13 :: 0.92 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 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 :: 123.57 Ave N Shift Values>> N :: 121.98(4.07) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 HN Overlap>> 1.S89 1.S89 C Shift Assignments>> CA :: 46.19 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.08 HA2 :: 3.77 HA3 :: 3.72 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.62 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 92 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 20 Shift Relative Order (SRO) Results: #Consistent: 112 #Suspicious: 0 C Shift Results: #Consistent: 374 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 616 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q67 HG3 = 1.05(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.1906e-05 1.V95 HG21 = -0.38(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0139e-05 1.V95 HG22 = -0.38(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0139e-05 1.V95 HG23 = -0.38(S), Expected = 0.83, Std = 0.2900, ChiSquare = 3.0139e-05