Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.92 M 0.06 C Shift Assignments>> CA :: 52.21 CB :: 19.59 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.02 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 T 0.29 A 0.19 L 0.03 M 0.01 C Shift Assignments>> CB :: 20.81 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.85 HA :: 4.82 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 :: 125.01 Ave N Shift Values>> N :: 123.23(3.54) 1.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 60.47 CB :: 71.67 CG2 :: 22.23 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 :: 8.55 HA :: 4.42 HB :: 4.71 HG21 :: 1.34 HG22 :: 1.34 HG23 :: 1.34 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 :: 111.46 Ave N Shift Values>> N :: 115.42(4.75) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.27 I 0.17 E 0.15 R 0.03 P 0.02 M 0.01 C Shift Assignments>> CA :: 60.81 CB :: 28.88 CG :: 34.29 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 :: 9.24 HA :: 3.68 HB2 :: 2.16 HB3 :: 2.02 HG2 :: 2.20 HG3 :: 2.15 HE21 :: 6.83 HE22 :: 7.52 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 :: 120.00 NE2 :: 111.35 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 E 0.19 K 0.01 C Shift Assignments>> CA :: 60.86 CB :: 29.14 CG :: 37.58 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 :: 8.86 HA :: 3.92 HB2 :: 2.06 HB3 :: 1.96 HG2 :: 2.48 HG3 :: 2.30 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 :: 116.52 Ave N Shift Values>> N :: 120.67(3.48) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.28 M 0.08 K 0.01 HN Overlap>> 1.V63 1.V63 C Shift Assignments>> CA :: 59.00 CB :: 30.62 CG :: 37.56 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 :: 7.69 HA :: 4.12 HB2 :: 2.47 HB3 :: 2.09 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 :: 120.50 Ave N Shift Values>> N :: 120.67(3.48) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 64.37 CB :: 37.59 CG1 :: 29.09 CG2 :: 19.09 CD1 :: 14.33 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 :: 8.38 HA :: 3.88 HB :: 1.76 HG12 :: 1.51 HG13 :: 0.19 HG21 :: 0.53 HG22 :: 0.53 HG23 :: 0.53 HD11 :: 0.51 HD12 :: 0.51 HD13 :: 0.51 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 :: 123.13 Ave N Shift Values>> N :: 121.46(4.28) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.73 CB :: 31.73 CG1 :: 21.16 CG2 :: 24.28 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 :: 8.37 HA :: 3.37 HB :: 2.00 HG11 :: 0.88 HG12 :: 0.88 HG13 :: 0.88 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 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 :: 120.26 Ave N Shift Values>> N :: 121.14(4.54) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.43 I 0.03 C Shift Assignments>> CA :: 55.19 CB :: 18.37 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.72 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 :: 119.31 Ave N Shift Values>> N :: 123.23(3.54) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.30 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.39 HA2 :: 4.05 HA3 :: 3.86 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.12 Ave N Shift Values>> N :: 109.67(3.87) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 R 0.35 G 0.02 K 0.01 C Shift Assignments>> CA :: 58.34 CB :: 42.25 CG :: 27.14 CD1 :: 27.28 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 :: 9.23 HA :: 4.23 HB2 :: 2.10 HB3 :: 1.26 HG :: 1.97 HD11 :: 0.83 HD12 :: 0.83 HD13 :: 0.83 HD21 :: 0.85 HD22 :: 0.85 HD23 :: 0.85 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 :: 122.37 Ave N Shift Values>> N :: 121.86(3.9) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.34 I 0.07 V 0.02 C Shift Assignments>> CA :: 56.04 CB :: 18.82 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.90 HA :: 4.04 HB1 :: 1.66 HB2 :: 1.66 HB3 :: 1.66 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.05 Ave N Shift Values>> N :: 123.23(3.54) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.37 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> CA :: 60.10 CB :: 29.89 CG :: 36.69 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 :: 7.94 HA :: 3.93 HB2 :: 2.28 HB3 :: 2.21 HG2 :: 2.60 HG3 :: 2.29 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 :: 117.85 Ave N Shift Values>> N :: 120.67(3.48) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 65.66 CB :: 39.05 CG1 :: 29.25 CG2 :: 19.80 CD1 :: 13.44 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 :: 8.19 HA :: 3.80 HB :: 2.08 HG12 :: 1.96 HG13 :: 1.03 HG21 :: 1.04 HG22 :: 1.04 HG23 :: 1.04 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 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 :: 120.60 Ave N Shift Values>> N :: 121.46(4.28) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 67.13 CB :: 31.73 CG1 :: 23.10 CG2 :: 23.43 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 :: 8.79 HA :: 3.58 HB :: 2.23 HG11 :: 0.98 HG12 :: 0.98 HG13 :: 0.98 HG21 :: 1.16 HG22 :: 1.16 HG23 :: 1.16 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 :: 117.54 Ave N Shift Values>> N :: 121.14(4.54) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 K 0.24 Y 0.2 L 0.11 I 0.07 R 0.05 D 0.04 C Shift Assignments>> CA :: 58.78 CB :: 41.59 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 :: 8.67 HA :: 4.65 HB2 :: 3.09 HB3 :: 2.73 HD21 :: 6.85 HD22 :: 8.06 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 :: 120.96 ND2 :: 112.78 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.24 K 0.09 Q 0.05 M 0.04 C Shift Assignments>> CA :: 59.73 CB :: 29.83 CG :: 36.16 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 :: 8.40 HA :: 3.91 HB2 :: 2.25 HB3 :: 2.11 HG2 :: 2.43 HG3 :: 2.25 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 :: 120.92 Ave N Shift Values>> N :: 120.67(3.48) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.68 CB :: 39.37 CG1 :: 29.57 CG2 :: 17.45 CD1 :: 13.98 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 :: 8.21 HA :: 3.92 HB :: 1.60 HG12 :: 1.63 HG13 :: 1.29 HG21 :: 0.94 HG22 :: 0.94 HG23 :: 0.94 HD11 :: 0.76 HD12 :: 0.76 HD13 :: 0.76 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 :: 116.53 Ave N Shift Values>> N :: 121.46(4.28) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.41 V 0.41 L 0.09 A 0.06 C Shift Assignments>> CB :: 21.79 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.46 HA :: 4.81 HB1 :: 1.53 HB2 :: 1.53 HB3 :: 1.53 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.38 Ave N Shift Values>> N :: 123.23(3.54) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> CA :: 46.41 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.83 HA2 :: 4.05 HA3 :: 3.93 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.04 Ave N Shift Values>> N :: 109.67(3.87) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 A 0.07 C Shift Assignments>> CA :: 57.53 CB :: 39.25 CG1 :: 28.03 CG2 :: 17.22 CD1 :: 11.84 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 :: 6.45 HA :: 4.30 HB :: 1.59 HG12 :: 1.29 HG13 :: 1.29 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 HD11 :: 0.82 HD12 :: 0.82 HD13 :: 0.82 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 :: 121.41 Ave N Shift Values>> N :: 121.46(4.28) 1.P22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 63.68 CB :: 32.39 CG :: 28.43 CD :: 51.31 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 :: 4.29 HB2 :: 2.33 HB3 :: 1.73 HG2 :: 2.11 HG3 :: 1.92 HD2 :: 4.03 HD3 :: 3.68 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.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.55 CB :: 32.05 CG1 :: 21.43 CG2 :: 21.16 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 :: 8.52 HA :: 3.59 HB :: 2.02 HG11 :: 0.95 HG12 :: 0.95 HG13 :: 0.95 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 :: 122.09 Ave N Shift Values>> N :: 121.14(4.54) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.2 K 0.15 Q 0.08 M 0.01 C Shift Assignments>> CA :: 58.49 CB :: 28.84 CG :: 36.12 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 :: 9.22 HA :: 4.03 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 2.26 HG3 :: 2.26 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 :: 117.54 Ave N Shift Values>> N :: 120.67(3.48) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 F 0.13 K 0.11 Y 0.1 N 0.09 R 0.01 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> CA :: 54.96 CB :: 41.02 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 :: 7.73 HA :: 4.58 HB2 :: 2.67 HB3 :: 2.58 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 :: 117.90 Ave N Shift Values>> N :: 120.65(3.86) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 63.95 CB :: 29.65 CG1 :: 22.08 CG2 :: 21.37 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 :: 7.48 HA :: 3.52 HB :: 2.32 HG11 :: 0.72 HG12 :: 0.72 HG13 :: 0.72 HG21 :: 0.90 HG22 :: 0.90 HG23 :: 0.90 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 :: 122.01 Ave N Shift Values>> N :: 121.14(4.54) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.94 L 0.02 A 0.02 C Shift Assignments>> CA :: 53.83 CB :: 36.61 CG :: 25.13 CD :: 29.25 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 :: 6.35 HA :: 4.61 HB2 :: 2.04 HB3 :: 1.51 HG2 :: 1.32 HG3 :: 1.32 HD2 :: 1.71 HD3 :: 1.61 HE2 :: 3.01 HE3 :: 3.01 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 :: 123.07 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 R 0.21 G 0.09 HN Overlap>> 1.S42 1.S42 C Shift Assignments>> CA :: 58.20 CB :: 43.12 CG :: 27.26 CD1 :: 24.24 CD2 :: 25.64 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 :: 8.44 HA :: 3.56 HB2 :: 1.70 HB3 :: 1.45 HG :: 1.74 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 HD21 :: 0.89 HD22 :: 0.89 HD23 :: 0.89 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 :: 117.79 Ave N Shift Values>> N :: 121.86(3.9) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.29 L 0.14 F 0.1 Y 0.09 K 0.01 C Shift Assignments>> CA :: 53.84 CB :: 40.08 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 :: 8.38 HA :: 4.47 HB2 :: 2.75 HB3 :: 2.58 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 :: 112.33 Ave N Shift Values>> N :: 120.65(3.86) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.31 R 0.17 M 0.11 C Shift Assignments>> CA :: 54.23 CB :: 32.67 CD :: 28.64 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 :: 7.50 HA :: 4.39 HB2 :: 2.03 HB3 :: 1.34 HD2 :: 1.54 HD3 :: 1.45 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 :: 117.36 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.25 S 0.21 V 0.19 T 0.17 I 0.13 F 0.01 C Shift Assignments>> CB :: 63.42 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.18 HA :: 4.90 HB2 :: 4.06 HB3 :: 3.84 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 :: 117.31 Ave N Shift Values>> N :: 116.28(3.52) 1.F32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 F 0.12 Y 0.12 C Shift Assignments>> CA :: 63.27 CB :: 39.46 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 :: 8.12 HA :: 4.07 HB2 :: 3.24 HB3 :: 3.16 HD1 :: 7.16 HD2 :: 7.16 HE1 :: 6.97 HE2 :: 6.97 HZ :: 6.85 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 :: 126.71 Ave N Shift Values>> N :: 120.45(4.18) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 64.08 CB :: 69.35 CG2 :: 22.21 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 :: 8.56 HA :: 4.45 HB :: 4.13 HG21 :: 1.26 HG22 :: 1.26 HG23 :: 1.26 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 :: 108.58 Ave N Shift Values>> N :: 115.42(4.75) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.23 L 0.2 F 0.19 Y 0.15 D 0.14 R 0.03 I 0.02 N 0.01 C Shift Assignments>> CA :: 56.89 CB :: 41.42 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 :: 7.97 HA :: 4.57 HB2 :: 2.75 HB3 :: 2.42 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 :: 118.31 Ave N Shift Values>> N :: 120.65(3.86) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.33 G 0.1 D 0.07 F 0.06 Y 0.03 K 0.03 C Shift Assignments>> CA :: 56.00 CB :: 43.73 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 :: 7.68 HA :: 4.37 HB2 :: 3.02 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 :: 113.94 Ave N Shift Values>> N :: 120.65(3.86) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 A 0.08 R 0.05 C Shift Assignments>> CA :: 54.80 CB :: 41.48 CG :: 26.92 CD1 :: 26.22 CD2 :: 22.78 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 :: 7.49 HA :: 4.35 HB2 :: 2.30 HB3 :: 1.57 HG :: 1.45 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 HD21 :: 0.76 HD22 :: 0.76 HD23 :: 0.76 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 :: 115.87 Ave N Shift Values>> N :: 121.86(3.9) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.2 F 0.18 Y 0.16 L 0.13 I 0.01 HN Overlap>> 1.N65 1.N65 C Shift Assignments>> CA :: 55.10 CB :: 39.75 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 :: 7.30 HA :: 4.42 HB2 :: 3.08 HB3 :: 2.41 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 :: 113.80 Ave N Shift Values>> N :: 120.65(3.86) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> CA :: 62.99 CB :: 31.42 CG1 :: 22.46 CG2 :: 22.46 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 :: 8.04 HA :: 3.97 HB :: 1.87 HG11 :: 0.92 HG12 :: 0.92 HG13 :: 0.92 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 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 :: 119.09 Ave N Shift Values>> N :: 121.14(4.54) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.28 K 0.14 R 0.1 F 0.06 N 0.05 Y 0.03 C Shift Assignments>> CA :: 53.76 CB :: 42.21 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 :: 8.28 HA :: 4.63 HB2 :: 3.07 HB3 :: 2.75 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 :: 126.62 Ave N Shift Values>> N :: 120.65(3.86) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.77 T 0.22 C Shift Assignments>> CA :: 60.81 CB :: 65.96 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.97 HA :: 4.11 HB2 :: 4.09 HB3 :: 4.14 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 :: 114.87 Ave N Shift Values>> N :: 116.28(3.52) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.95 R 0.04 C Shift Assignments>> CA :: 58.07 CB :: 41.40 CG :: 27.43 CD1 :: 24.02 CD2 :: 25.13 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 :: 8.05 HA :: 4.28 HB2 :: 1.87 HB3 :: 1.61 HG :: 1.71 HD11 :: 0.89 HD12 :: 0.89 HD13 :: 0.89 HD21 :: 0.95 HD22 :: 0.95 HD23 :: 0.95 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 :: 122.92 Ave N Shift Values>> N :: 121.86(3.9) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> CA :: 61.82 CB :: 62.86 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.39 HA :: 4.27 HB2 :: 3.96 HB3 :: 3.60 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 :: 117.88 Ave N Shift Values>> N :: 116.28(3.52) 1.M43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> CA :: 57.08 CB :: 30.77 CG :: 31.73 CE :: 16.47 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 :: 8.32 HA :: 4.10 HB2 :: 2.07 HB3 :: 1.92 HG2 :: 2.37 HG3 :: 2.37 HE1 :: 1.38 HE2 :: 1.38 HE3 :: 1.38 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 :: 119.89 Ave N Shift Values>> N :: 120.09(3.57) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.79 CB :: 31.99 CG1 :: 21.28 CG2 :: 22.74 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 :: 7.33 HA :: 3.57 HB :: 2.22 HG11 :: 0.95 HG12 :: 0.95 HG13 :: 0.95 HG21 :: 1.11 HG22 :: 1.11 HG23 :: 1.11 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 :: 118.32 Ave N Shift Values>> N :: 121.14(4.54) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 I 0.22 K 0.1 Q 0.05 M 0.03 C Shift Assignments>> CA :: 59.00 CB :: 29.55 CG :: 36.36 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 :: 6.99 HA :: 4.05 HB2 :: 2.29 HB3 :: 2.14 HG2 :: 2.45 HG3 :: 2.27 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 :: 117.26 Ave N Shift Values>> N :: 120.67(3.48) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.20 CB :: 31.42 CG1 :: 20.52 CG2 :: 23.05 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 :: 8.05 HA :: 3.41 HB :: 2.30 HG11 :: 0.63 HG12 :: 0.63 HG13 :: 0.63 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 :: 121.49 Ave N Shift Values>> N :: 121.14(4.54) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> CA :: 68.06 CB :: 31.73 CG1 :: 21.77 CG2 :: 24.15 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 :: 7.94 HA :: 3.27 HB :: 2.21 HG11 :: 0.85 HG12 :: 0.85 HG13 :: 0.85 HG21 :: 0.89 HG22 :: 0.89 HG23 :: 0.89 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 :: 119.06 Ave N Shift Values>> N :: 121.14(4.54) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D25 1.D25 C Shift Assignments>> CA :: 66.33 CB :: 32.20 CG1 :: 21.42 CG2 :: 22.77 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 :: 7.79 HA :: 3.91 HB :: 2.05 HG11 :: 0.97 HG12 :: 0.97 HG13 :: 0.97 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 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 :: 117.91 Ave N Shift Values>> N :: 121.14(4.54) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.32 I 0.02 L 0.01 V 0.01 HN Overlap>> 1.K74 1.K74 C Shift Assignments>> CA :: 55.00 CB :: 19.30 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.92 HA :: 4.23 HB1 :: 1.51 HB2 :: 1.51 HB3 :: 1.51 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.94 Ave N Shift Values>> N :: 123.23(3.54) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.27 I 0.06 C Shift Assignments>> CA :: 55.61 CB :: 17.81 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.82 HA :: 3.93 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.10 Ave N Shift Values>> N :: 123.23(3.54) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 E 0.46 M 0.04 K 0.01 C Shift Assignments>> CA :: 60.16 CB :: 30.60 CG :: 37.63 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 :: 8.81 HA :: 4.19 HB2 :: 2.46 HB3 :: 2.10 HG2 :: 2.81 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 :: 118.93 Ave N Shift Values>> N :: 120.67(3.48) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 I 0.15 K 0.08 M 0.07 Q 0.05 C Shift Assignments>> CA :: 58.75 CB :: 30.06 CG :: 36.38 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 :: 7.75 HA :: 4.11 HB2 :: 2.11 HB3 :: 2.02 HG2 :: 2.43 HG3 :: 2.24 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 :: 116.53 Ave N Shift Values>> N :: 120.67(3.48) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.12 G 0.06 C Shift Assignments>> CA :: 58.53 CB :: 30.71 CG :: 27.07 CD :: 42.97 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 :: 8.22 HA :: 3.90 HB2 :: 1.60 HB3 :: 1.06 HG2 :: 0.85 HG3 :: 0.65 HD2 :: 2.86 HD3 :: 2.69 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 :: 118.63 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.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.24 I 0.17 N 0.16 D 0.12 L 0.04 C Shift Assignments>> CB :: 39.64 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 :: 8.08 HA :: 4.83 HB2 :: 3.42 HB3 :: 2.72 HD1 :: 7.46 HD2 :: 7.46 HE1 :: 7.12 HE2 :: 7.12 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 :: 112.39 Ave N Shift Values>> N :: 120.45(4.18) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 N 0.22 F 0.19 Y 0.19 L 0.11 I 0.02 C Shift Assignments>> CA :: 55.26 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 :: 7.81 HA :: 4.47 HB2 :: 3.25 HB3 :: 2.52 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 :: 120.16 Ave N Shift Values>> N :: 120.65(3.86) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 A 0.02 C Shift Assignments>> CA :: 59.40 CB :: 36.45 CG1 :: 20.61 CG2 :: 21.87 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 :: 7.85 HA :: 4.66 HB :: 1.99 HG11 :: 0.91 HG12 :: 0.91 HG13 :: 0.91 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 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 :: 113.08 Ave N Shift Values>> N :: 121.14(4.54) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.98 A 0.01 C Shift Assignments>> CA :: 54.09 CB :: 33.70 CG :: 24.52 CD :: 28.47 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 :: 4.69 HB2 :: 1.67 HB3 :: 1.67 HG2 :: 1.34 HG3 :: 1.34 HD2 :: 1.63 HD3 :: 1.63 HE2 :: 2.94 HE3 :: 2.94 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 :: 122.30 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> CA :: 58.70 CB :: 37.82 CG1 :: 27.01 CG2 :: 17.41 CD1 :: 12.75 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 :: 9.86 HA :: 4.46 HB :: 1.68 HG12 :: 1.54 HG13 :: 0.78 HG21 :: 0.28 HG22 :: 0.28 HG23 :: 0.28 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 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 :: 126.56 Ave N Shift Values>> N :: 121.46(4.28) 1.P59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.77 CB :: 32.98 CG :: 27.93 CD :: 51.31 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 :: 2.37 HB3 :: 1.93 HG2 :: 1.94 HG3 :: 1.94 HD2 :: 3.79 HD3 :: 3.79 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.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 L 0.13 K 0.1 D 0.1 I 0.06 N 0.01 C Shift Assignments>> CA :: 57.79 CB :: 40.71 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 :: 8.65 HA :: 4.18 HB2 :: 2.58 HB3 :: 2.58 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 :: 122.57 Ave N Shift Values>> N :: 120.65(3.86) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 D 0.18 L 0.17 K 0.07 N 0.04 I 0.03 C Shift Assignments>> CA :: 56.68 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 :: 8.65 HA :: 4.31 HB2 :: 2.62 HB3 :: 2.46 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 :: 115.26 Ave N Shift Values>> N :: 120.65(3.86) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.23 K 0.19 F 0.14 Y 0.1 N 0.03 R 0.03 C Shift Assignments>> CA :: 55.68 CB :: 41.40 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 :: 4.66 HB2 :: 2.37 HB3 :: 2.37 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 :: 116.86 Ave N Shift Values>> N :: 120.65(3.86) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> CA :: 66.19 CB :: 31.90 CG1 :: 21.39 CG2 :: 23.87 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 :: 7.70 HA :: 3.19 HB :: 1.96 HG11 :: 0.84 HG12 :: 0.84 HG13 :: 0.84 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 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 :: 120.59 Ave N Shift Values>> N :: 121.14(4.54) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.19 G 0.01 C Shift Assignments>> CA :: 58.02 CB :: 32.09 CG :: 24.70 CD :: 29.48 CE :: 42.29 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 :: 7.09 HA :: 4.08 HB2 :: 1.80 HB3 :: 1.74 HG2 :: 1.39 HG3 :: 1.39 HD2 :: 1.66 HD3 :: 1.66 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 :: 114.53 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.21 I 0.19 N 0.18 D 0.09 L 0.03 HN Overlap>> 1.D37 1.D37 C Shift Assignments>> CB :: 39.38 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 :: 7.29 HA :: 4.86 HB2 :: 3.03 HB3 :: 2.72 HD21 :: 6.99 HD22 :: 7.74 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 :: 113.85 ND2 :: 114.29 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 A 0.26 C Shift Assignments>> CA :: 53.52 CB :: 39.51 CG :: 25.39 CD1 :: 25.49 CD2 :: 22.72 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 :: 7.68 HA :: 4.49 HB2 :: 2.21 HB3 :: 0.87 HG :: 1.79 HD11 :: 0.39 HD12 :: 0.39 HD13 :: 0.39 HD21 :: 0.60 HD22 :: 0.60 HD23 :: 0.60 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 :: 122.64 Ave N Shift Values>> N :: 121.86(3.9) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> CA :: 53.53 CB :: 34.02 CG :: 25.56 CD :: 28.93 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 :: 8.34 HA :: 4.48 HB2 :: 2.05 HB3 :: 2.05 HG2 :: 1.56 HG3 :: 1.44 HD2 :: 1.74 HD3 :: 1.74 HE2 :: 3.08 HE3 :: 3.08 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 :: 121.71 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 A 0.12 C Shift Assignments>> CA :: 58.73 CB :: 73.77 CG2 :: 21.60 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 :: 8.57 HA :: 5.21 HB :: 4.33 HG1 :: 5.38 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 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 :: 107.73 Ave N Shift Values>> N :: 115.42(4.75) 1.V69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 66.32 CB :: 31.73 CG1 :: 22.94 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 :: 8.13 HA :: 3.37 HB :: 2.26 HG11 :: 0.42 HG12 :: 0.42 HG13 :: 0.42 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 :: 121.15 Ave N Shift Values>> N :: 121.14(4.54) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 P 0.15 A 0.08 L 0.03 N 0.02 C Shift Assignments>> CA :: 47.87 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.40 HA2 :: 3.99 HA3 :: 3.77 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.74 Ave N Shift Values>> N :: 109.67(3.87) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 F 0.2 L 0.17 Y 0.15 D 0.08 R 0.06 I 0.03 C Shift Assignments>> CA :: 57.63 CB :: 41.71 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 :: 8.39 HA :: 4.48 HB2 :: 3.08 HB3 :: 2.88 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 :: 124.24 Ave N Shift Values>> N :: 120.65(3.86) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.4 I 0.04 C Shift Assignments>> CA :: 55.49 CB :: 18.52 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 :: 4.10 HB1 :: 1.56 HB2 :: 1.56 HB3 :: 1.56 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.93 Ave N Shift Values>> N :: 123.23(3.54) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 67.51 CB :: 68.51 CG2 :: 21.24 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 :: 8.64 HA :: 3.67 HB :: 4.17 HG21 :: 1.09 HG22 :: 1.09 HG23 :: 1.09 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 :: 115.78 Ave N Shift Values>> N :: 115.42(4.75) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 HN Overlap>> 1.A49 1.A49 C Shift Assignments>> CA :: 59.32 CB :: 32.42 CG :: 25.21 CD :: 28.93 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 :: 8.03 HA :: 3.93 HB2 :: 1.95 HB3 :: 1.88 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 1.77 HD3 :: 1.63 HE2 :: 3.02 HE3 :: 3.02 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 :: 120.95 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 F 0.14 Y 0.14 C Shift Assignments>> CA :: 62.83 CB :: 39.48 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 :: 7.93 HA :: 4.21 HB2 :: 3.10 HB3 :: 3.10 HD1 :: 6.81 HD2 :: 6.81 HE1 :: 6.55 HE2 :: 6.55 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 :: 118.20 Ave N Shift Values>> N :: 120.52(4.2) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 66.83 CB :: 37.96 CG1 :: 30.31 CG2 :: 17.32 CD1 :: 13.74 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 :: 8.54 HA :: 3.49 HB :: 1.76 HG12 :: 1.98 HG13 :: 0.90 HG21 :: 0.51 HG22 :: 0.51 HG23 :: 0.51 HD11 :: 0.60 HD12 :: 0.60 HD13 :: 0.60 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 :: 121.28 Ave N Shift Values>> N :: 121.46(4.28) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.12 G 0.04 C Shift Assignments>> CA :: 58.52 CB :: 42.57 CG :: 26.83 CD1 :: 25.48 CD2 :: 25.48 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 :: 8.51 HA :: 3.89 HB2 :: 1.73 HB3 :: 1.67 HG :: 1.60 HD11 :: 0.80 HD12 :: 0.80 HD13 :: 0.80 HD21 :: 0.80 HD22 :: 0.80 HD23 :: 0.80 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 :: 121.05 Ave N Shift Values>> N :: 121.86(3.9) 1.D78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.2 F 0.2 Y 0.16 K 0.09 N 0.06 I 0.01 C Shift Assignments>> CA :: 55.99 CB :: 40.73 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 :: 8.25 HA :: 4.36 HB2 :: 2.52 HB3 :: 2.20 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 :: 115.85 Ave N Shift Values>> N :: 120.65(3.86) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 Q 0.19 E 0.18 H 0.17 R 0.14 M 0.04 I 0.03 L 0.01 C Shift Assignments>> CA :: 57.30 CB :: 29.21 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 :: 7.70 HA :: 4.61 HB2 :: 3.58 HB3 :: 2.49 HD2 :: 7.01 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 :: 114.32 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.38 R 0.08 M 0.07 E 0.05 C Shift Assignments>> CA :: 56.48 CB :: 28.99 CG :: 33.51 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 :: 7.85 HA :: 4.40 HB2 :: 2.32 HB3 :: 2.13 HG2 :: 2.69 HG3 :: 2.58 HE21 :: 7.67 HE22 :: 7.72 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 :: 120.37 NE2 :: 112.10 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.1 L 0.07 V 0.01 C Shift Assignments>> CA :: 54.19 CB :: 20.21 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.32 HA :: 4.16 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 :: 130.31 Ave N Shift Values>> N :: 123.23(3.54) 2.SHO1 Overall Status: Residue type SHO not supported. ########################################################################### Overall Results: #Consistent: 81 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 81 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 248 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 571 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 82 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0