Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.84 CA :: 63.02 CB :: 32.26 CG :: 27.06 CD :: 50.26 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.47 HB2 :: 1.94 HB3 :: 2.31 HG2 :: 2.01 HG3 :: 2.01 HD2 :: 3.61 HD3 :: 3.56 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.32 Q 0.19 E 0.02 K 0.01 HN Overlap>> 1.F23 1.F23 C Shift Assignments>> C :: 176.46 CA :: 55.56 CB :: 33.27 CG :: 32.00 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.58 HA :: 4.57 HB2 :: 2.03 HB3 :: 2.10 HG2 :: 2.57 HG3 :: 2.64 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.73 Ave N Shift Values>> N :: 120.09(3.57) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.73 CA :: 61.50 CB :: 70.34 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.36 HA :: 4.41 HB :: 4.30 HG21 :: 1.22 HG22 :: 1.22 HG23 :: 1.22 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.03 Ave N Shift Values>> N :: 115.42(4.75) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 176.34 CA :: 63.21 CB :: 32.49 CG1 :: 20.95 CG2 :: 20.95 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.33 HA :: 4.06 HB :: 2.10 HG11 :: 0.94 HG12 :: 0.94 HG13 :: 0.94 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.43 Ave N Shift Values>> N :: 121.14(4.54) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 F 0.11 N 0.1 Y 0.09 K 0.08 C 0.06 C Shift Assignments>> C :: 176.69 CA :: 54.70 CB :: 40.91 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.24 HA :: 4.54 HB2 :: 2.61 HB3 :: 2.70 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.77 Ave N Shift Values>> N :: 120.65(3.86) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.18 F 0.1 R 0.08 Y 0.07 C 0.05 N 0.02 C Shift Assignments>> C :: 177.59 CA :: 55.68 CB :: 41.94 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.15 HA :: 4.55 HB2 :: 2.70 HB3 :: 2.70 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.29 Ave N Shift Values>> N :: 120.65(3.86) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.02 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> C :: 178.83 CA :: 56.90 CB :: 41.64 CG :: 27.16 CD1 :: 25.10 CD2 :: 24.10 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.22 HA :: 4.15 HB2 :: 1.55 HB3 :: 1.74 HG :: 1.62 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.26 Ave N Shift Values>> N :: 121.86(3.9) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.27 K 0.25 E 0.06 R 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 177.71 CA :: 57.97 CB :: 28.49 CG :: 33.90 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.21 HA :: 4.16 HB2 :: 2.11 HB3 :: 2.11 HG2 :: 2.39 HG3 :: 2.45 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.68 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 179.89 CA :: 54.27 CB :: 18.43 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.08 HA :: 4.16 HB1 :: 1.41 HB2 :: 1.41 HB3 :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.04 Ave N Shift Values>> N :: 123.23(3.54) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.49 HN Overlap>> 1.L70 1.L70 C Shift Assignments>> C :: 177.96 CA :: 58.35 CB :: 32.56 CG :: 24.77 CD :: 29.22 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.05 HA :: 4.16 HB2 :: 1.81 HB3 :: 1.81 HG2 :: 1.45 HG3 :: 1.35 HD2 :: 1.63 HD3 :: 1.63 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.12 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 H 0.35 C 0.29 HN Overlap>> 1.A124 1.A124 C Shift Assignments>> C :: 176.72 CA :: 57.24 CB :: 28.99 CD2 :: 119.948 CE1 :: 137.129 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.26 HA :: 4.57 HB2 :: 3.27 HB3 :: 3.27 HD2 :: 8.37 HE1 :: 7.20 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.25 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.26 K 0.25 E 0.09 R 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 177.59 CA :: 58.05 CB :: 28.66 CG :: 34.10 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.39 HA :: 4.17 HB2 :: 2.12 HB3 :: 2.12 HG2 :: 2.41 HG3 :: 2.41 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.16 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.46 I 0.02 C 0.02 C Shift Assignments>> C :: 180.34 CA :: 54.89 CB :: 18.28 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.18 HA :: 4.25 HB1 :: 1.50 HB2 :: 1.50 HB3 :: 1.50 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.49 Ave N Shift Values>> N :: 123.23(3.54) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.14 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.84 CA :: 58.56 CB :: 29.34 CG :: 36.47 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.34 HA :: 4.12 HB2 :: 2.11 HB3 :: 2.11 HG2 :: 2.46 HG3 :: 2.31 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.82 Ave N Shift Values>> N :: 120.67(3.48) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 C 0.02 HN Overlap>> 1.L89 1.L89 C Shift Assignments>> C :: 178.97 CA :: 54.75 CB :: 18.05 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.19 HA :: 4.13 HB1 :: 1.37 HB2 :: 1.37 HB3 :: 1.37 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.91 Ave N Shift Values>> N :: 123.23(3.54) 1.H17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.37 C 0.31 H 0.31 HN Overlap>> 1.F110 1.C153 1.F110 1.C153 C Shift Assignments>> C :: 176.53 CA :: 58.70 CB :: 28.61 CD2 :: 119.962 CE1 :: 136.885 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.23 HA :: 4.27 HB2 :: 3.28 HB3 :: 3.28 HD2 :: 8.43(S) HE1 :: 7.26 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.45 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.02 C 0.02 C Shift Assignments>> C :: 179.84 CA :: 54.83 CB :: 17.97 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.95 HA :: 4.21 HB1 :: 1.49 HB2 :: 1.49 HB3 :: 1.49 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.98 Ave N Shift Values>> N :: 123.23(3.54) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.4 C 0.03 I 0.02 HN Overlap>> 1.A84 1.A84 C Shift Assignments>> C :: 178.46 CA :: 54.94 CB :: 18.74 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.81 HA :: 3.82 HB1 :: 1.21 HB2 :: 1.21 HB3 :: 1.21 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.43 Ave N Shift Values>> N :: 123.23(3.54) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 178.22 CA :: 65.92 CB :: 38.05 CG1 :: 29.73 CG2 :: 17.27 CD1 :: 13.85 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.95 HA :: 3.33 HB :: 1.82 HG12 :: 0.87 HG13 :: 0.87 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 HD11 :: 0.81 HD12 :: 0.81 HD13 :: 0.81 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.99 Ave N Shift Values>> N :: 121.46(4.28) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 L 0.13 D 0.13 C 0.1 K 0.06 I 0.04 N 0.02 HN Overlap>> 1.I146 1.I146 C Shift Assignments>> C :: 178.29 CA :: 57.13 CB :: 40.49 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.89 HA :: 4.37 HB2 :: 2.69 HB3 :: 2.69 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.35 Ave N Shift Values>> N :: 120.65(3.86) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.E40 1.E40 C Shift Assignments>> C :: 176.09 CA :: 67.07 CB :: 68.64 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.97 HA :: 4.02 HB :: 4.26 HG21 :: 1.36 HG22 :: 1.36 HG23 :: 1.36 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.54 Ave N Shift Values>> N :: 115.42(4.75) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 C 0.23 F 0.17 E 0.15 I 0.11 M 0.03 N 0.01 D 0.01 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> C :: 178.76 CA :: 57.92 CB :: 37.54 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.64 HA :: 4.51 HB2 :: 2.96 HB3 :: 3.37 HD1 :: 6.86 HD2 :: 6.86 HE1 :: 6.99 HE2 :: 6.99 HZ :: 6.73 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.69 Ave N Shift Values>> N :: 120.45(4.18) 1.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 179.34 CA :: 65.76 CB :: 68.75 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.80 HA :: 4.13 HB :: 4.30 HG21 :: 1.30 HG22 :: 1.30 HG23 :: 1.30 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.91 Ave N Shift Values>> N :: 115.42(4.75) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.46 R 0.06 HN Overlap>> 1.A114 1.A69 1.A114 1.A69 C Shift Assignments>> C :: 178.97 CA :: 59.27 CB :: 32.84 CG :: 24.58 CD :: 29.22 CE :: 42.00 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.74 HA :: 4.00 HB2 :: 1.59 HB3 :: 1.86 HG2 :: 1.06 HG3 :: 0.51 HD2 :: 1.38 HD3 :: 1.45 HE2 :: 2.75 HE3 :: 2.75 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.94 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 F 0.23 Y 0.22 C 0.15 C Shift Assignments>> C :: 177.34 CA :: 60.95 CB :: 39.70 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.07 HA :: 4.60 HB2 :: 2.83 HB3 :: 3.05 HD1 :: 7.54 HD2 :: 7.54 HE1 :: 6.88 HE2 :: 6.88 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 112.43 Ave N Shift Values>> N :: 120.52(4.2) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.3 A 0.19 R 0.07 C Shift Assignments>> C :: 175.46 CA :: 53.97 CB :: 41.71 CG :: 27.60 CD1 :: 22.22 CD2 :: 25.85 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.18 HA :: 4.51 HB2 :: 1.37 HB3 :: 1.97 HG :: 2.00 HD11 :: 0.62 HD12 :: 0.62 HD13 :: 0.62 HD21 :: 0.36 HD22 :: 0.36 HD23 :: 0.36 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.45 Ave N Shift Values>> N :: 121.86(3.9) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 N 0.18 F 0.18 Y 0.17 C 0.11 L 0.09 I 0.02 C Shift Assignments>> C :: 174.59 CA :: 55.38 CB :: 39.41 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.72 HA :: 4.42 HB2 :: 2.42 HB3 :: 3.03 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.62 Ave N Shift Values>> N :: 120.65(3.86) 1.I29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.64 I 0.33 A 0.01 C Shift Assignments>> C :: 174.83 CA :: 58.67 CB :: 41.23 CG1 :: 24.30 CG2 :: 17.06 CD1 :: 14.09 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.59 HA :: 4.78 HB :: 2.10 HG12 :: 1.28 HG13 :: 0.82 HG21 :: 0.69 HG22 :: 0.69 HG23 :: 0.69 HD11 :: 0.41 HD12 :: 0.41 HD13 :: 0.41 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 107.14(S) Ave N Shift Values>> N :: 121.46(4.28) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.27 K 0.1 N 0.08 R 0.06 F 0.04 C 0.04 Y 0.03 HN Overlap>> 1.C118 1.C118 C Shift Assignments>> C :: 176.41 CA :: 52.81 CB :: 42.05 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.35 HA :: 4.72 HB2 :: 2.79 HB3 :: 3.09 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.21 Ave N Shift Values>> N :: 120.65(3.86) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.27 I 0.26 K 0.02 M 0.01 C Shift Assignments>> C :: 179.04 CA :: 60.08 CB :: 29.68 CG :: 36.95 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.89 HA :: 3.77 HB2 :: 2.06 HB3 :: 2.13 HG2 :: 2.28 HG3 :: 2.28 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.48 Ave N Shift Values>> N :: 120.67(3.48) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.29 C 0.14 I 0.09 D 0.06 L 0.06 N 0.02 C Shift Assignments>> C :: 178.34 CA :: 57.79 CB :: 39.58 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.60 HA :: 4.42 HB2 :: 2.71 HB3 :: 2.83 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.89 Ave N Shift Values>> N :: 120.65(3.86) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 C 0.19 I 0.16 E 0.03 D 0.02 L 0.01 N 0.01 C Shift Assignments>> C :: 177.84 CA :: 58.45 CB :: 38.60 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.33 HA :: 4.68 HB2 :: 3.13 HB3 :: 3.45 HD1 :: 7.17 HD2 :: 7.17 HE1 :: 7.38 HE2 :: 7.38 HZ :: 6.95 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.51 Ave N Shift Values>> N :: 120.45(4.18) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 L 0.15 C 0.14 M 0.14 V 0.08 T 0.04 I 0.01 C Shift Assignments>> C :: 178.34 CA :: 55.89 CB :: 20.45 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.56 HA :: 3.86 HB1 :: 1.63 HB2 :: 1.63 HB3 :: 1.63 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.30 Ave N Shift Values>> N :: 123.23(3.54) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.71 CA :: 67.71 CB :: 68.84 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.17 HA :: 3.78 HB :: 4.49 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.85 Ave N Shift Values>> N :: 115.42(4.75) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.10 CA :: 66.75 CB :: 31.52 CG1 :: 22.76 CG2 :: 20.96 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.49 HA :: 3.76 HB :: 2.40 HG11 :: 1.17 HG12 :: 1.17 HG13 :: 1.17 HG21 :: 1.01 HG22 :: 1.01 HG23 :: 1.01 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.79 Ave N Shift Values>> N :: 121.14(4.54) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.33 R 0.02 C Shift Assignments>> C :: 178.90 CA :: 58.60 CB :: 41.65 CG :: 26.05 CD1 :: 22.10 CD2 :: 25.60 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.58 HA :: 3.95 HB2 :: 2.16 HB3 :: 1.24 HG :: 1.47 HD11 :: 0.44 HD12 :: 0.44 HD13 :: 0.44 HD21 :: 0.14 HD22 :: 0.14 HD23 :: 0.14 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.03 Ave N Shift Values>> N :: 121.86(3.9) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 181.72 CA :: 65.84 CB :: 32.06 CG1 :: 24.16 CG2 :: 21.27 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.01 HA :: 4.28 HB :: 2.10 HG11 :: 1.09 HG12 :: 1.09 HG13 :: 1.09 HG21 :: 0.97 HG22 :: 0.97 HG23 :: 0.97 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.15 Ave N Shift Values>> N :: 121.14(4.54) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.29 I 0.27 K 0.04 C Shift Assignments>> C :: 178.91 CA :: 59.19 CB :: 28.84 CG :: 36.95 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.92 HA :: 4.06 HB2 :: 2.14 HB3 :: 2.29 HG2 :: 2.56 HG3 :: 2.37 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.10 Ave N Shift Values>> N :: 120.67(3.48) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.29 K 0.17 Q 0.15 I 0.03 R 0.01 M 0.01 HN Overlap>> 1.T22 1.T22 C Shift Assignments>> C :: 175.86 CA :: 56.15 CB :: 28.62 CG :: 35.66 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.00 HA :: 4.34 HB2 :: 2.19 HB3 :: 2.49 HG2 :: 2.66 HG3 :: 2.42 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.61 Ave N Shift Values>> N :: 120.67(3.48) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.04 CA :: 44.95 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.74 HA2 :: 3.53 HA3 :: 4.09 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.00 Ave N Shift Values>> N :: 109.67(3.87) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 C 0.16 I 0.1 D 0.05 L 0.04 N 0.02 C Shift Assignments>> C :: 174.47 CA :: 57.85 CB :: 39.22 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.15 HA :: 4.72 HB2 :: 2.79 HB3 :: 2.79 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.53 Ave N Shift Values>> N :: 120.45(4.18) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 173.59 CA :: 58.73 CB :: 65.46 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.26 HA :: 4.68 HB2 :: 3.76 HB3 :: 3.95 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.54 Ave N Shift Values>> N :: 116.28(3.52) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.74 CA :: 58.91 CB :: 72.34 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.90 HA :: 4.94 HB :: 4.79 HG21 :: 1.20 HG22 :: 1.20 HG23 :: 1.20 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.09 Ave N Shift Values>> N :: 115.42(4.75) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.42 R 0.1 G 0.01 C Shift Assignments>> C :: 178.59 CA :: 57.89 CB :: 42.22 CG :: 27.03 CD1 :: 23.48 CD2 :: 25.93 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.20 HA :: 3.95 HB2 :: 1.20 HB3 :: 1.84 HG :: 1.83 HD11 :: 0.88 HD12 :: 0.88 HD13 :: 0.88 HD21 :: 0.62 HD22 :: 0.62 HD23 :: 0.62 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.16 Ave N Shift Values>> N :: 121.86(3.9) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.37 E 0.11 C Shift Assignments>> C :: 178.64 CA :: 60.96 CB :: 29.00 CG :: 37.57 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.44 HA :: 3.72 HB2 :: 2.02 HB3 :: 2.15 HG2 :: 2.33 HG3 :: 2.59 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.38 Ave N Shift Values>> N :: 120.67(3.48) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.32 I 0.14 M 0.03 K 0.01 C Shift Assignments>> C :: 178.41 CA :: 58.98 CB :: 30.36 CG :: 37.31 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.81 HA :: 4.08 HB2 :: 2.19 HB3 :: 2.57 HG2 :: 2.42 HG3 :: 2.42 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.45 Ave N Shift Values>> N :: 120.67(3.48) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.32 R 0.13 G 0.02 C Shift Assignments>> C :: 176.96 CA :: 56.90 CB :: 42.65 CG :: 26.63 CD1 :: 26.53 CD2 :: 24.07 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.07 HA :: 3.77 HB2 :: 1.03 HB3 :: 1.54 HG :: 1.45 HD11 :: 0.08 HD12 :: 0.08 HD13 :: 0.08 HD21 :: 0.20 HD22 :: 0.20 HD23 :: 0.20 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.02 Ave N Shift Values>> N :: 121.86(3.9) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.27 C 0.03 I 0.01 C Shift Assignments>> C :: 178.24 CA :: 54.34 CB :: 19.04 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.84 HA :: 3.82 HB1 :: 0.73 HB2 :: 0.73 HB3 :: 0.73 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 115.92 Ave N Shift Values>> N :: 123.23(3.54) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.27 C 0.14 D 0.1 L 0.07 I 0.06 N 0.04 C Shift Assignments>> C :: 177.21 CA :: 57.11 CB :: 39.47 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.29 HA :: 4.77 HB2 :: 2.79 HB3 :: 3.29 HD1 :: 7.20 HD2 :: 7.20 HE1 :: 6.72 HE2 :: 6.72 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 110.41 Ave N Shift Values>> N :: 120.52(4.2) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 HN Overlap>> 1.L137 1.L137 C Shift Assignments>> CA :: 60.68 CB :: 31.73 CG1 :: 21.28 CG2 :: 20.99 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.81 HA :: 4.49 HB :: 2.53 HG11 :: 1.16 HG12 :: 1.16 HG13 :: 1.16 HG21 :: 1.00 HG22 :: 1.00 HG23 :: 1.00 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.63 Ave N Shift Values>> N :: 121.14(4.54) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.29 C Shift Assignments>> C :: 177.84 CA :: 63.67 CB :: 32.21 CG :: 28.37 CD :: 51.40 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.38 HB2 :: 1.89 HB3 :: 2.45 HG2 :: 2.04 HG3 :: 2.22 HD2 :: 3.72 HD3 :: 3.99 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.33 Q 0.06 C Shift Assignments>> C :: 177.59 CA :: 59.20 CB :: 32.29 CG :: 32.30 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.66 HA :: 3.86 HB2 :: 1.93 HB3 :: 1.93 HG2 :: 2.52 HG3 :: 2.52 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.39 Ave N Shift Values>> N :: 120.09(3.57) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 C Shift Assignments>> C :: 177.84 CA :: 59.13 CB :: 32.32 CG :: 24.59 CD :: 29.38 CE :: 41.90 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.52 HA :: 3.95 HB2 :: 1.76 HB3 :: 1.93 HG2 :: 1.44 HG3 :: 1.44 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.98 HE3 :: 2.98 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.62 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.33 I 0.2 K 0.04 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.22 CA :: 58.84 CB :: 29.30 CG :: 36.97 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.64 HA :: 4.16 HB2 :: 2.10 HB3 :: 2.26 HG2 :: 2.37 HG3 :: 2.37 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.23 Ave N Shift Values>> N :: 120.67(3.48) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.32 R 0.2 G 0.02 C Shift Assignments>> C :: 177.64 CA :: 56.85 CB :: 42.73 CG :: 27.54 CD1 :: 26.18 CD2 :: 23.68 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.17 HA :: 4.16 HB2 :: 1.33 HB3 :: 1.72 HG :: 1.37 HD11 :: 0.64 HD12 :: 0.64 HD13 :: 0.64 HD21 :: 0.28 HD22 :: 0.28 HD23 :: 0.28 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.56 Ave N Shift Values>> N :: 121.86(3.9) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 A 0.03 R 0.02 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> C :: 177.34 CA :: 56.06 CB :: 41.47 CG :: 27.00 CD1 :: 22.61 CD2 :: 25.30 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.62 HA :: 4.01 HB2 :: 1.71 HB3 :: 1.63 HG :: 1.69 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.73 HD22 :: 0.73 HD23 :: 0.73 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.31 Ave N Shift Values>> N :: 121.86(3.9) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.34 K 0.08 I 0.05 Q 0.04 M 0.04 C Shift Assignments>> C :: 176.95 CA :: 56.93 CB :: 29.65 CG :: 36.44 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.10 HA :: 4.16 HB2 :: 2.00 HB3 :: 2.23 HG2 :: 2.56 HG3 :: 2.33 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.72 Ave N Shift Values>> N :: 120.67(3.48) 1.I59 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 :: 175.84 CA :: 62.18 CB :: 36.93 CG1 :: 27.97 CG2 :: 16.84 CD1 :: 13.86 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.52 HA :: 3.86 HB :: 2.03 HG12 :: 1.05 HG13 :: 1.81 HG21 :: 0.87 HG22 :: 0.87 HG23 :: 0.87 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.23 Ave N Shift Values>> N :: 121.46(4.28) 1.E60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.32 C 0.31 K 0.14 Q 0.12 I 0.06 M 0.02 C Shift Assignments>> C :: 177.09 CA :: 58.21 CB :: 29.39 CG :: 35.59 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.50 HA :: 3.99 HB2 :: 2.01 HB3 :: 2.01 HG2 :: 2.37 HG3 :: 2.28 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 104.83(S) Ave N Shift Values>> N :: 120.67(3.48) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 174.53 CA :: 45.04 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.67 HA2 :: 3.65 HA3 :: 4.21 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.93 Ave N Shift Values>> N :: 109.67(3.87) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.23 R 0.03 A 0.01 G 0.01 C Shift Assignments>> C :: 175.22 CA :: 54.27 CB :: 42.09 CG :: 27.17 CD1 :: 25.14 CD2 :: 23.83 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.56 HA :: 4.51 HB2 :: 1.28 HB3 :: 1.84 HG :: 1.53 HD11 :: 0.87 HD12 :: 0.87 HD13 :: 0.87 HD21 :: 0.69 HD22 :: 0.69 HD23 :: 0.69 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.59 Ave N Shift Values>> N :: 121.86(3.9) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.27 R 0.13 G 0.09 N 0.05 C 0.05 K 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 175.34 CA :: 51.66 CB :: 42.77 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.44 HA :: 4.73 HB2 :: 2.77 HB3 :: 3.01 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.81 Ave N Shift Values>> N :: 120.65(3.86) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 P 0.31 C 0.15 W 0.03 R 0.03 C Shift Assignments>> CA :: 62.07 CB :: 27.12 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.00 HA :: 4.06 HB2 :: 2.13 HB3 :: 2.13 HG2 :: 2.36 HG3 :: 2.33 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.33 Ave N Shift Values>> N :: 120.67(3.48) 1.P65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 180.37 CA :: 66.00 CB :: 30.64 CG :: 28.19 CD :: 49.65 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.36 HB2 :: 1.84 HB3 :: 2.30 HG2 :: 2.13 HG3 :: 1.98 HD2 :: 3.73 HD3 :: 3.83 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 177.20 CA :: 67.18 CB :: 67.93 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.83 HA :: 3.97 HB :: 4.25 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.65 Ave N Shift Values>> N :: 115.42(4.75) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> C :: 177.47 CA :: 67.43 CB :: 31.44 CG1 :: 24.60 CG2 :: 23.06 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.30 HA :: 3.52 HB :: 2.21 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.19 Ave N Shift Values>> N :: 121.14(4.54) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.3 I 0.23 K 0.05 Q 0.02 C Shift Assignments>> C :: 177.59 CA :: 59.70 CB :: 29.09 CG :: 36.42 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.66 HA :: 4.03 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.25 HG3 :: 2.42 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.36 Ave N Shift Values>> N :: 120.67(3.48) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.03 C 0.02 HN Overlap>> 1.K25 1.K25 C Shift Assignments>> C :: 180.23 CA :: 54.97 CB :: 18.04 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.71 HA :: 4.21 HB1 :: 1.54 HB2 :: 1.54 HB3 :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.04 Ave N Shift Values>> N :: 123.23(3.54) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.4 R 0.13 G 0.02 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 178.41 CA :: 58.11 CB :: 42.52 CG :: 26.52 CD1 :: 25.07 CD2 :: 26.64 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.14 HA :: 3.91 HB2 :: 1.54 HB3 :: 1.84 HG :: 1.71 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.72 HD22 :: 0.72 HD23 :: 0.72 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.08 Ave N Shift Values>> N :: 121.86(3.9) 1.R71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.44 R 0.04 HN Overlap>> 1.N151 1.N151 C Shift Assignments>> C :: 178.67 CA :: 59.98 CB :: 30.55 CG :: 27.17 CD :: 45.40 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.26 HA :: 3.68 HB2 :: 1.86 HB3 :: 1.86 HG2 :: 1.76 HG3 :: 1.76 HD2 :: 3.12 HD3 :: 3.12 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.97 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.13 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 179.16 CA :: 59.18 CB :: 29.28 CG :: 35.92 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.80 HA :: 4.29 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.36 HG3 :: 2.36 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.67 Ave N Shift Values>> N :: 120.67(3.48) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.34 G 0.16 K 0.01 C Shift Assignments>> C :: 179.72 CA :: 59.44 CB :: 30.18 CG :: 27.88 CD :: 43.97 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.26 HA :: 4.12 HB2 :: 1.97 HB3 :: 1.97 HG2 :: 1.76 HG3 :: 2.05 HD2 :: 3.08 HD3 :: 3.33 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.07 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.23 I 0.06 C 0.02 C Shift Assignments>> C :: 178.47 CA :: 55.65 CB :: 17.57 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51 HA :: 3.86 HB1 :: 1.33 HB2 :: 1.33 HB3 :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.51 Ave N Shift Values>> N :: 123.23(3.54) 1.K75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.33 R 0.15 C Shift Assignments>> C :: 179.96 CA :: 60.43 CB :: 32.28 CG :: 26.19 CD :: 29.30 CE :: 42.07 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.19 HA :: 3.73 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.27 HG3 :: 1.59 HD2 :: 1.67 HD3 :: 1.67 HE2 :: 2.88 HE3 :: 2.88 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.79 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.18 C 0.18 N 0.14 D 0.07 E 0.06 I 0.04 L 0.03 M 0.02 HN Overlap>> 1.R150 1.R150 1.N92 1.N92 C Shift Assignments>> C :: 177.90 CA :: 56.03 CB :: 38.21 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.35 HA :: 4.50 HB2 :: 2.87 HB3 :: 2.87 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.87 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.39 C 0.04 I 0.02 HN Overlap>> 1.A95 1.A95 C Shift Assignments>> C :: 179.47 CA :: 55.08 CB :: 18.88 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.40 HA :: 4.21 HB1 :: 1.43 HB2 :: 1.43 HB3 :: 1.43 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.34 Ave N Shift Values>> N :: 123.23(3.54) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 R 0.22 L 0.15 K 0.01 C Shift Assignments>> C :: 179.73 CA :: 57.91 CB :: 41.64 CG :: 29.21 CD1 :: 26.11 CD2 :: 23.58 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.06 HA :: 3.86 HB2 :: 1.46 HB3 :: 1.93 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.46 Ave N Shift Values>> N :: 121.86(3.9) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.42 I 0.02 C 0.02 C Shift Assignments>> C :: 180.04 CA :: 54.89 CB :: 18.02 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.59 HA :: 4.25 HB1 :: 1.54 HB2 :: 1.54 HB3 :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.53 Ave N Shift Values>> N :: 123.23(3.54) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.M147 1.M147 C Shift Assignments>> C :: 176.97 CA :: 66.03 CB :: 69.06 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.08 HA :: 4.05 HB :: 4.43 HG21 :: 1.35 HG22 :: 1.35 HG23 :: 1.35 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.30 Ave N Shift Values>> N :: 115.42(4.75) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.09 CA :: 64.83 CB :: 38.92 CG1 :: 29.46 CG2 :: 16.91 CD1 :: 13.43 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.32 HA :: 3.75 HB :: 1.67 HG12 :: 1.50 HG13 :: 0.89 HG21 :: 0.84 HG22 :: 0.84 HG23 :: 0.84 HD11 :: 0.31 HD12 :: 0.31 HD13 :: 0.31 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.88 Ave N Shift Values>> N :: 121.46(4.28) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.4 C 0.02 I 0.01 C Shift Assignments>> C :: 179.73 CA :: 54.38 CB :: 18.28 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.87 HA :: 4.21 HB1 :: 1.50 HB2 :: 1.50 HB3 :: 1.50 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.30 Ave N Shift Values>> N :: 123.23(3.54) 1.Q83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.26 E 0.07 R 0.05 M 0.02 I 0.01 C Shift Assignments>> C :: 177.17 CA :: 57.45 CB :: 28.69 CG :: 33.87 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.91 HA :: 4.16 HB2 :: 2.17 HB3 :: 2.17 HG2 :: 2.47 HG3 :: 2.47 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.69 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.26 C 0.01 HN Overlap>> 1.A19 1.A19 C Shift Assignments>> C :: 178.98 CA :: 53.56 CB :: 18.50 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.89 HA :: 4.29 HB1 :: 1.50 HB2 :: 1.50 HB3 :: 1.50 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.51 Ave N Shift Values>> N :: 123.23(3.54) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.07 R 0.04 M 0.03 C Shift Assignments>> C :: 176.97 CA :: 56.75 CB :: 28.99 CG :: 33.88 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.03 HA :: 4.25 HB2 :: 2.14 HB3 :: 2.14 HG2 :: 2.47 HG3 :: 2.47 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.18 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 M 0.07 K 0.05 I 0.05 Q 0.03 C Shift Assignments>> CA :: 57.57 CB :: 30.18 CG :: 36.45 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.14 HA :: 4.21 HB2 :: 2.06 HB3 :: 2.06 HG2 :: 2.33 HG3 :: 2.33 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.13 Ave N Shift Values>> N :: 120.67(3.48) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 M 0.07 K 0.06 I 0.04 Q 0.04 HN Overlap>> 1.E158 1.E158 C Shift Assignments>> C :: 176.97 CA :: 57.08 CB :: 30.10 CG :: 36.45 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.31 HA :: 4.25 HB2 :: 2.04 HB3 :: 2.04 HG2 :: 2.33 HG3 :: 2.33 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.93 Ave N Shift Values>> N :: 120.67(3.48) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.88 CA :: 58.67 CB :: 63.75 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.21 HA :: 4.46 HB2 :: 3.91 HB3 :: 3.91 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.15 Ave N Shift Values>> N :: 116.28(3.52) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.29 R 0.05 A 0.01 G 0.01 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 178.08 CA :: 55.51 CB :: 42.30 CG :: 27.08 CD1 :: 25.11 CD2 :: 23.43 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.14 HA :: 4.34 HB2 :: 1.62 HB3 :: 1.71 HG :: 1.68 HD11 :: 0.93 HD12 :: 0.93 HD13 :: 0.93 HD21 :: 0.87 HD22 :: 0.87 HD23 :: 0.87 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.83 Ave N Shift Values>> N :: 121.86(3.9) 1.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.96 CA :: 45.44 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.22 HA2 :: 3.95 HA3 :: 3.95 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.62 Ave N Shift Values>> N :: 109.67(3.87) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 N 0.09 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.09 CA :: 54.38 CB :: 41.19 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.26 HA :: 4.62 HB2 :: 2.58 HB3 :: 2.70 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.61 Ave N Shift Values>> N :: 120.65(3.86) 1.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.18 C 0.09 F 0.07 Y 0.07 L 0.05 HN Overlap>> 1.R150 1.N76 1.R150 1.N76 C Shift Assignments>> C :: 177.59 CA :: 53.14 CB :: 38.87 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.35 HA :: 4.64 HB2 :: 2.66 HB3 :: 2.66 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.87 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 C 0.28 R 0.08 G 0.01 A 0.01 C Shift Assignments>> CA :: 53.18 CB :: 33.20 CG :: 24.50 CD :: 29.17 CE :: 42.22 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.02 HA :: 4.53 HB2 :: 1.64 HB3 :: 1.75 HG2 :: 1.42 HG3 :: 1.42 HD2 :: 1.71 HD3 :: 1.71 HE2 :: 3.05 HE3 :: 3.05 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.49 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.72 CA :: 63.04 CB :: 32.14 CG :: 27.66 CD :: 50.65 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.40 HB2 :: 2.29 HB3 :: 1.92 HG2 :: 2.01 HG3 :: 2.01 HD2 :: 3.62 HD3 :: 3.81 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 L 0.03 C 0.03 M 0.01 HN Overlap>> 1.A77 1.A77 C Shift Assignments>> C :: 178.07 CA :: 51.22 CB :: 20.69 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.40 HA :: 4.37 HB1 :: 1.61 HB2 :: 1.61 HB3 :: 1.61 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.34 Ave N Shift Values>> N :: 123.23(3.54) 1.D96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 L 0.12 C 0.11 D 0.1 K 0.06 I 0.05 N 0.01 C Shift Assignments>> C :: 177.40 CA :: 57.47 CB :: 40.52 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.56 HA :: 4.29 HB2 :: 2.57 HB3 :: 2.57 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.82 Ave N Shift Values>> N :: 120.65(3.86) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 F 0.22 C 0.14 D 0.13 N 0.12 L 0.07 I 0.03 E 0.01 C Shift Assignments>> C :: 177.48 CA :: 56.09 CB :: 39.06 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.43 HA :: 4.21 HB2 :: 2.62 HB3 :: 2.71 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.26 Ave N Shift Values>> N :: 120.65(3.86) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.38 R 0.12 G 0.03 C Shift Assignments>> C :: 177.34 CA :: 57.24 CB :: 42.93 CG :: 27.90 CD1 :: 25.10 CD2 :: 25.10 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.37 HA :: 4.01 HB2 :: 1.07 HB3 :: 1.84 HG :: 1.37 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.73 HD22 :: 0.73 HD23 :: 0.73 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.75 Ave N Shift Values>> N :: 121.86(3.9) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.35 R 0.1 G 0.02 HN Overlap>> 1.L57 1.L57 C Shift Assignments>> C :: 177.87 CA :: 57.08 CB :: 42.60 CG :: 27.33 CD1 :: 24.22 CD2 :: 25.40 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.65 HA :: 3.76 HB2 :: 1.46 HB3 :: 1.72 HG :: 1.42 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.81 HD22 :: 0.81 HD23 :: 0.81 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.21 Ave N Shift Values>> N :: 121.86(3.9) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.23 C 0.07 F 0.07 L 0.07 Y 0.06 C Shift Assignments>> C :: 174.84 CA :: 53.01 CB :: 39.34 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.48 HA :: 4.68 HB2 :: 2.66 HB3 :: 2.92 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.32 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 A 0.02 R 0.01 C Shift Assignments>> C :: 176.69 CA :: 55.25 CB :: 41.85 CG :: 25.53 CD1 :: 23.56 CD2 :: 25.65 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.32 HA :: 4.12 HB2 :: 1.46 HB3 :: 1.88 HG :: 1.74 HD11 :: 0.86 HD12 :: 0.86 HD13 :: 0.86 HD21 :: 0.72 HD22 :: 0.72 HD23 :: 0.72 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.04 Ave N Shift Values>> N :: 121.86(3.9) 1.E102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.34 C 0.32 K 0.11 I 0.1 Q 0.07 M 0.01 C Shift Assignments>> C :: 176.34 CA :: 58.49 CB :: 29.13 CG :: 35.91 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.57 HA :: 3.95 HB2 :: 1.89 HB3 :: 2.02 HG2 :: 2.23 HG3 :: 2.23 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 105.02(S) Ave N Shift Values>> N :: 120.67(3.48) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.36 CA :: 44.68 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.58 HA2 :: 3.61 HA3 :: 4.23 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.15 Ave N Shift Values>> N :: 109.67(3.87) 1.V104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.K141 1.K141 C Shift Assignments>> C :: 174.59 CA :: 62.78 CB :: 32.10 CG1 :: 22.50 CG2 :: 24.10 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.89 HA :: 3.99 HB :: 2.43 HG11 :: 0.81 HG12 :: 0.81 HG13 :: 0.81 HG21 :: 0.74 HG22 :: 0.74 HG23 :: 0.74 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.81 Ave N Shift Values>> N :: 121.14(4.54) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.25 N 0.11 K 0.07 R 0.05 C 0.05 F 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 175.53 CA :: 51.73 CB :: 42.08 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.37 HA :: 4.85 HB2 :: 2.70 HB3 :: 3.03 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.80 Ave N Shift Values>> N :: 120.65(3.86) 1.R106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.35 G 0.07 K 0.05 HN Overlap>> 1.L112 1.A109 1.L112 1.A109 C Shift Assignments>> C :: 177.85 CA :: 60.65 CB :: 29.98 CG :: 28.00 CD :: 43.15 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.64 HA :: 3.84 HB2 :: 1.91 HB3 :: 1.82 HG2 :: 1.76 HG3 :: 1.67 HD2 :: 3.21 HD3 :: 3.21 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.86 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.13 K 0.12 C 0.1 D 0.1 I 0.04 N 0.01 C Shift Assignments>> C :: 178.97 CA :: 57.58 CB :: 40.88 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.11 HA :: 4.55 HB2 :: 2.73 HB3 :: 2.64 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.73 Ave N Shift Values>> N :: 120.65(3.86) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.46 R 0.05 C Shift Assignments>> C :: 178.48 CA :: 57.69 CB :: 41.24 CG :: 27.43 CD1 :: 26.51 CD2 :: 23.39 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.18 HA :: 4.14 HB2 :: 1.83 HB3 :: 1.87 HG :: 1.60 HD11 :: 1.05 HD12 :: 1.05 HD13 :: 1.05 HD21 :: 1.02 HD22 :: 1.02 HD23 :: 1.02 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.86 Ave N Shift Values>> N :: 121.86(3.9) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.27 I 0.06 C 0.03 HN Overlap>> 1.R106 1.L112 1.R106 1.L112 C Shift Assignments>> C :: 179.72 CA :: 55.76 CB :: 18.05 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.64 HA :: 3.80 HB1 :: 1.33 HB2 :: 1.33 HB3 :: 1.33 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.86 Ave N Shift Values>> N :: 123.23(3.54) 1.F110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.16 Y 0.12 F 0.11 HN Overlap>> 1.H17 1.H17 C Shift Assignments>> C :: 179.16 CA :: 62.48 CB :: 38.56 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.18 HA :: 4.12 HB2 :: 3.22 HB3 :: 3.22 HD1 :: 7.58 HD2 :: 7.58 HE1 :: 7.32 HE2 :: 7.32 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.53 Ave N Shift Values>> N :: 120.45(4.18) 1.K111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.29 R 0.19 C Shift Assignments>> C :: 179.99 CA :: 60.06 CB :: 32.91 CG :: 26.50 CD :: 29.50 CE :: 42.00 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.04 HA :: 4.14 HB2 :: 1.88 HB3 :: 1.88 HG2 :: 1.56 HG3 :: 1.56 HD2 :: 1.63 HD3 :: 1.79 HE2 :: 2.98 HE3 :: 2.98 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.92 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.22 C 0.21 I 0.14 E 0.06 D 0.01 N 0.01 L 0.01 M 0.01 HN Overlap>> 1.R106 1.R106 1.A109 1.A109 C Shift Assignments>> C :: 179.53 CA :: 58.18 CB :: 38.19 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.64 HA :: 4.16 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.86 Ave N Shift Values>> N :: 121.86(3.9) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.42 I 0.02 C 0.02 C Shift Assignments>> C :: 180.90 CA :: 54.85 CB :: 18.01 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.20 HA :: 3.80 HB1 :: 1.15 HB2 :: 1.15 HB3 :: 1.15 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.66 Ave N Shift Values>> N :: 123.23(3.54) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.46 C 0.02 I 0.01 HN Overlap>> 1.K25 1.K25 C Shift Assignments>> C :: 179.09 CA :: 54.48 CB :: 18.00 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.82 HA :: 4.16 HB1 :: 1.54 HB2 :: 1.54 HB3 :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.96 Ave N Shift Values>> N :: 123.23(3.54) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 C 0.3 G 0.06 K 0.04 L 0.01 C Shift Assignments>> C :: 175.94 CA :: 54.52 CB :: 29.95 CG :: 27.30 CD :: 43.15 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.39 HA :: 4.55 HB2 :: 1.88 HB3 :: 2.14 HG2 :: 1.75 HG3 :: 1.81 HD2 :: 3.13 HD3 :: 3.24 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.50 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 173.84 CA :: 45.38 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.95 HA2 :: 3.60 HA3 :: 4.20 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.71 Ave N Shift Values>> N :: 109.67(3.87) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 172.36 CA :: 61.34 CB :: 29.88 CG1 :: 21.51 CG2 :: 19.94 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.01 HA :: 3.97 HB :: 1.99 HG11 :: 0.70 HG12 :: 0.70 HG13 :: 0.70 HG21 :: 0.63 HG22 :: 0.63 HG23 :: 0.63 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.27 Ave N Shift Values>> N :: 121.14(4.54) 1.C118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 W 0.17 E 0.11 R 0.09 V 0.08 H 0.08 I 0.07 Q 0.05 K 0.04 M 0.02 P 0.01 HN Overlap>> 1.D30 1.D30 C Shift Assignments>> C :: 173.85 CA :: 60.19 CB :: 30.28 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.46 HA :: 4.36 HB2 :: 2.90 HB3 :: 3.16 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.22 Ave N Shift Values>> N :: 120.17(4.64) 1.T119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.19 CA :: 58.71 CB :: 72.34 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.97 HA :: 4.89 HB :: 4.76 HG21 :: 1.18 HG22 :: 1.18 HG23 :: 1.18 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.89 Ave N Shift Values>> N :: 115.42(4.75) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.41 R 0.09 C Shift Assignments>> C :: 178.09 CA :: 58.09 CB :: 41.81 CG :: 26.96 CD1 :: 26.79 CD2 :: 25.42 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.78 HA :: 3.87 HB2 :: 1.27 HB3 :: 1.60 HG :: 1.47 HD11 :: 0.96 HD12 :: 0.96 HD13 :: 0.96 HD21 :: 0.86 HD22 :: 0.86 HD23 :: 0.86 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.45 Ave N Shift Values>> N :: 121.86(3.9) 1.E121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.29 E 0.26 K 0.04 Q 0.01 C Shift Assignments>> C :: 178.68 CA :: 59.56 CB :: 28.51 CG :: 36.63 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.48 HA :: 3.99 HB2 :: 2.06 HB3 :: 1.93 HG2 :: 2.45 HG3 :: 2.45 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.96 Ave N Shift Values>> N :: 120.67(3.48) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.19 F 0.15 Y 0.1 D 0.1 R 0.09 C 0.06 I 0.01 C Shift Assignments>> C :: 179.21 CA :: 57.09 CB :: 41.96 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.75 HA :: 4.29 HB3 :: 2.80 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.74 Ave N Shift Values>> N :: 120.65(3.86) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 L 0.33 R 0.04 C Shift Assignments>> C :: 177.09 CA :: 57.90 CB :: 41.20 CG :: 26.63 CD1 :: 23.08 CD2 :: 26.95 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.81 HA :: 3.82 HB2 :: 1.09 HB3 :: 1.89 HG :: 1.30 HD11 :: 0.73 HD12 :: 0.73 HD13 :: 0.73 HD21 :: 0.61 HD22 :: 0.61 HD23 :: 0.61 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.18 Ave N Shift Values>> N :: 121.86(3.9) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.42 C 0.01 I 0.01 HN Overlap>> 1.H12 1.H12 C Shift Assignments>> C :: 177.44 CA :: 54.26 CB :: 18.02 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.26 HA :: 3.73 HB1 :: 0.85 HB2 :: 0.85 HB3 :: 0.85 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.25 Ave N Shift Values>> N :: 123.23(3.54) 1.E125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.29 K 0.11 Q 0.1 M 0.07 I 0.02 C Shift Assignments>> C :: 178.19 CA :: 56.13 CB :: 29.82 CG :: 35.91 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.07 HA :: 4.42 HB2 :: 2.14 HB3 :: 2.36 HG2 :: 2.66 HG3 :: 2.66 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 111.80 Ave N Shift Values>> N :: 120.67(3.48) 1.Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.26 C 0.22 E 0.09 M 0.05 R 0.02 C Shift Assignments>> C :: 174.84 CA :: 55.06 CB :: 29.32 CG :: 34.15 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.55 HA :: 4.12 HB2 :: 1.97 HB3 :: 2.36 HG2 :: 1.91 HG3 :: 3.16 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.63 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 G 0.06 D 0.06 F 0.05 K 0.03 C 0.03 Y 0.03 C Shift Assignments>> C :: 175.89 CA :: 43.33 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.83 HA2 :: 3.65 HA3 :: 4.64 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.37 Ave N Shift Values>> N :: 109.67(3.87) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 C Shift Assignments>> C :: 178.72 CA :: 65.90 CB :: 38.12 CG1 :: 29.00 CG2 :: 17.77 CD1 :: 13.53 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.46 HA :: 3.39 HB :: 1.76 HG12 :: 1.03 HG13 :: 1.62 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 HD11 :: 0.91 HD12 :: 0.91 HD13 :: 0.91 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.55 Ave N Shift Values>> N :: 121.46(4.28) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.22 D 0.17 C 0.11 L 0.11 N 0.08 I 0.03 K 0.01 C Shift Assignments>> C :: 178.20 CA :: 56.30 CB :: 39.81 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.58 HA :: 4.34 HB2 :: 2.55 HB3 :: 2.66 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.47 Ave N Shift Values>> N :: 120.65(3.86) 1.D130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 L 0.2 F 0.14 D 0.12 Y 0.1 R 0.07 C 0.06 I 0.01 N 0.01 C Shift Assignments>> C :: 176.80 CA :: 56.71 CB :: 41.83 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.47 HA :: 4.51 HB2 :: 2.96 HB3 :: 2.96 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.51 Ave N Shift Values>> N :: 120.65(3.86) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.21 R 0.15 A 0.05 G 0.01 C Shift Assignments>> C :: 176.40 CA :: 53.97 CB :: 42.39 CG :: 27.60 CD1 :: 26.21 CD2 :: 23.05 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.27 HA :: 4.42 HB2 :: 1.63 HB3 :: 1.54 HG :: 1.63 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.67 HD22 :: 0.67 HD23 :: 0.67 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.57 Ave N Shift Values>> N :: 121.86(3.9) 1.A132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.23 C 0.03 L 0.01 C Shift Assignments>> C :: 177.16 CA :: 54.20 CB :: 19.15 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.27 HA :: 4.08 HB1 :: 1.41 HB2 :: 1.41 HB3 :: 1.41 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.82 Ave N Shift Values>> N :: 123.23(3.54) 1.D133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.26 L 0.12 F 0.11 Y 0.09 C 0.07 C Shift Assignments>> C :: 176.23 CA :: 54.13 CB :: 39.93 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.35 HA :: 4.47 HB2 :: 2.71 HB3 :: 2.71 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 114.30 Ave N Shift Values>> N :: 120.65(3.86) 1.I134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.10 CA :: 61.92 CB :: 37.08 CG1 :: 28.35 CG2 :: 17.41 CD1 :: 13.46 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.79 HA :: 3.84 HB :: 1.90 HG12 :: 0.92 HG13 :: 1.60 HG21 :: 0.79 HG22 :: 0.79 HG23 :: 0.79 HD11 :: 0.75 HD12 :: 0.75 HD13 :: 0.75 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.88 Ave N Shift Values>> N :: 121.46(4.28) 1.E135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> E 0.35 C 0.33 K 0.11 I 0.09 Q 0.07 M 0.02 C Shift Assignments>> C :: 177.02 CA :: 58.38 CB :: 29.36 CG :: 35.93 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.65 HA :: 3.99 HB2 :: 1.89 HB3 :: 1.97 HG2 :: 2.28 HG3 :: 2.28 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 106.36(S) Ave N Shift Values>> N :: 120.67(3.48) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.97 CA :: 45.14 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.82 HA2 :: 3.67 HA3 :: 4.27 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.49 Ave N Shift Values>> N :: 109.67(3.87) 1.L137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.29 L 0.13 G 0.07 K 0.01 HN Overlap>> 1.V51 1.V51 C Shift Assignments>> C :: 175.59 CA :: 53.57 CB :: 43.04 CG :: 29.50 CD1 :: 26.10 CD2 :: 24.80 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.88 HA :: 4.71 HB2 :: 1.33 HB3 :: 1.89 HG :: 1.63 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 0.90 HD22 :: 0.90 HD23 :: 0.90 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.70 Ave N Shift Values>> N :: 121.86(3.9) 1.T138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.80 CA :: 59.97 CB :: 71.67 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.42 HA :: 4.62 HB :: 4.72 HG21 :: 1.33 HG22 :: 1.33 HG23 :: 1.33 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.82 Ave N Shift Values>> N :: 115.42(4.75) 1.D139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.14 I 0.08 D 0.08 L 0.06 N 0.03 C Shift Assignments>> C :: 179.09 CA :: 57.44 CB :: 39.44 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.94 HA :: 4.25 HB2 :: 2.66 HB3 :: 2.66 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.68 Ave N Shift Values>> N :: 120.65(3.86) 1.E140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.17 K 0.05 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.21 CA :: 59.39 CB :: 29.55 CG :: 36.43 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.49 HA :: 4.00 HB2 :: 1.93 HB3 :: 2.06 HG2 :: 2.28 HG3 :: 2.28 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.93 Ave N Shift Values>> N :: 120.67(3.48) 1.K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.36 R 0.2 G 0.01 HN Overlap>> 1.V104 1.V104 C Shift Assignments>> C :: 178.34 CA :: 58.94 CB :: 32.63 CG :: 25.78 CD :: 29.24 CE :: 42.46 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.83 HA :: 4.14 HB2 :: 1.84 HB3 :: 1.84 HG2 :: 1.36 HG3 :: 1.51 HD2 :: 1.79 HD3 :: 1.79 HE2 :: 2.88 HE3 :: 2.95 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.74 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.35 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 179.10 CA :: 55.74 CB :: 18.65 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.88 HA :: 3.82 HB1 :: 1.48 HB2 :: 1.48 HB3 :: 1.48 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.41 Ave N Shift Values>> N :: 123.23(3.54) 1.G143 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.82 C 0.08 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.83 CA :: 47.35 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.25 HA2 :: 3.63 HA3 :: 3.90 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 126.41(S) Ave N Shift Values>> N :: 109.67(3.87) 1.A144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.03 C 0.02 C Shift Assignments>> C :: 181.15 CA :: 55.06 CB :: 18.16 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.68 HA :: 4.13 HB1 :: 1.50 HB2 :: 1.50 HB3 :: 1.50 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.90 Ave N Shift Values>> N :: 123.23(3.54) 1.L145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.4 R 0.07 G 0.01 C Shift Assignments>> C :: 178.22 CA :: 57.85 CB :: 42.34 CG :: 26.14 CD1 :: 26.34 CD2 :: 23.05 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.26 HA :: 4.04 HB2 :: 1.27 HB3 :: 1.96 HG :: 1.91 HD11 :: 0.72 HD12 :: 0.72 HD13 :: 0.72 HD21 :: 0.72 HD22 :: 0.72 HD23 :: 0.72 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.76 Ave N Shift Values>> N :: 121.86(3.9) 1.I146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.D21 1.D21 C Shift Assignments>> C :: 178.60 CA :: 66.17 CB :: 39.28 CG1 :: 28.70 CG2 :: 16.55 CD1 :: 14.03 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.95 HA :: 3.22 HB :: 1.57 HG12 :: 1.00 HG13 :: 1.54 HG21 :: 0.83 HG22 :: 0.83 HG23 :: 0.83 HD11 :: 0.53 HD12 :: 0.53 HD13 :: 0.53 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.31 Ave N Shift Values>> N :: 121.46(4.28) 1.M147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.33 Q 0.1 K 0.06 HN Overlap>> 1.T80 1.T80 C Shift Assignments>> C :: 178.61 CA :: 58.38 CB :: 31.42 CG :: 32.07 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.99 HA :: 4.08 HB2 :: 2.14 HB3 :: 2.06 HG2 :: 2.67 HG3 :: 2.67 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.36 Ave N Shift Values>> N :: 120.09(3.57) 1.A148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.28 C 0.16 V 0.04 T 0.03 M 0.02 K 0.01 C Shift Assignments>> C :: 180.59 CA :: 55.18 CB :: 21.58 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.12 HA :: 4.23 HB1 :: 1.54 HB2 :: 1.54 HB3 :: 1.54 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.63 Ave N Shift Values>> N :: 123.23(3.54) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 179.84 CA :: 55.26 CB :: 17.76 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.15 HA :: 3.94 HB1 :: 1.42 HB2 :: 1.42 HB3 :: 1.42 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.24 Ave N Shift Values>> N :: 123.23(3.54) 1.R150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 R 0.31 G 0.14 K 0.02 HN Overlap>> 1.N76 1.N92 1.N76 1.N92 C Shift Assignments>> C :: 178.29 CA :: 60.26 CB :: 29.83 CG :: 28.19 CD :: 43.69 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.42 HA :: 3.00 HB2 :: 1.41 HB3 :: 1.74 HG2 :: 0.03(S) HG3 :: 1.54 HD2 :: 2.83 HD3 :: 2.83 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.79 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.19 F 0.17 N 0.13 E 0.08 D 0.06 I 0.04 M 0.03 L 0.02 HN Overlap>> 1.R71 1.R71 C Shift Assignments>> C :: 176.84 CA :: 56.12 CB :: 38.01 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.33 HA :: 4.59 HB2 :: 2.92 HB3 :: 2.92 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.91 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 178.09 CA :: 64.08 CB :: 39.41 CG1 :: 29.24 CG2 :: 17.56 CD1 :: 13.75 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.32 HA :: 3.91 HB :: 1.77 HG12 :: 1.10 HG13 :: 1.71 HG21 :: 0.91 HG22 :: 0.91 HG23 :: 0.91 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.62 Ave N Shift Values>> N :: 121.46(4.28) 1.C153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.41 C 0.2 P 0.14 W 0.08 V 0.03 K 0.03 E 0.02 H 0.01 R 0.01 Q 0.01 HN Overlap>> 1.H17 1.H17 C Shift Assignments>> C :: 175.85 CA :: 62.06 CB :: 28.61 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.34 HA :: 4.32 HB2 :: 2.49 HB3 :: 2.94 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.43 Ave N Shift Values>> N :: 120.17(4.64) 1.W154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.15 K 0.13 W 0.12 E 0.12 R 0.12 C 0.11 M 0.04 C Shift Assignments>> C :: 176.97 CA :: 55.84 CB :: 29.43 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.60 HA :: 4.98 HB2 :: 2.79 HB3 :: 2.96 HD1 :: 6.82 HE1 :: 10.35 HE3 :: 7.42 HZ2 :: 7.30 HZ3 :: 7.05 HH2 :: 7.14 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.21 NE1 :: 127.82 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.26 C 0.14 D 0.1 L 0.07 I 0.06 N 0.05 C Shift Assignments>> C :: 176.47 CA :: 57.02 CB :: 39.39 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.59 HA :: 4.94 HB2 :: 3.13 HB3 :: 3.43 HD1 :: 7.36 HD2 :: 7.36 HE1 :: 7.43 HE2 :: 7.43 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.32 Ave N Shift Values>> N :: 120.45(4.18) 1.G156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.10 CA :: 45.82 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.07 HA2 :: 3.66 HA3 :: 4.03 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.74 Ave N Shift Values>> N :: 109.67(3.87) 1.D157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> CA :: 54.39 CB :: 41.29 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.30 HA :: 4.64 HB2 :: 2.57 HB3 :: 2.74 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.38 Ave N Shift Values>> N :: 120.65(3.86) 1.E158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.35 M 0.13 Q 0.03 K 0.03 I 0.02 HN Overlap>> 1.E87 1.E87 C Shift Assignments>> C :: 175.34 CA :: 56.51 CB :: 30.68 CG :: 36.44 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.31 HA :: 4.29 HB2 :: 1.93 HB3 :: 2.10 HG2 :: 2.28 HG3 :: 2.28 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.93 Ave N Shift Values>> N :: 120.67(3.48) 1.A159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 152 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 157 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 159 #Suspicious: 0 C Shift Results: #Consistent: 624 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1046 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 149 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 Error Summary: 1.H17 HD2 = 8.43(S), Expected = 7.00, Std = 0.4300, ChiSquare = 8.8234e-04 1.I29 N = 107.14(S), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2047e-04 1.E60 N = 104.83(S), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3208e-06 1.E102 N = 105.02(S), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8878e-06 1.E135 N = 106.36(S), Expected = 120.67, Std = 3.4800, ChiSquare = 3.9213e-05 1.G143 N = 126.41(S), Expected = 109.67, Std = 3.8700, ChiSquare = 1.5213e-05 1.R150 HG2 = 0.03(S), Expected = 1.57, Std = 0.2700, ChiSquare = 1.1723e-08