Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K24 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.182 CA :: 57.948 CB :: 63.770 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.35 C 0.24 P 0.17 W 0.06 K 0.04 R 0.03 H 0.02 E 0.02 M 0.01 Q 0.01 HN Overlap>> 2.V13 2.V13 C Shift Assignments>> C :: 175.260 CA :: 61.520 CB :: 32.297 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 :: 8.297 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 :: 122.294 Ave N Shift Values>> N :: 121.14(4.54) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.12 K 0.09 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 175.088 CA :: 53.944 CB :: 41.180 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 :: 8.562 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 :: 125.720 Ave N Shift Values>> N :: 120.65(3.86) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 M 0.22 E 0.17 Q 0.11 K 0.09 N 0.06 Y 0.03 F 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 175.215 CA :: 54.586 CB :: 35.377 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 :: 8.282 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 :: 122.082 Ave N Shift Values>> N :: 120.09(3.57) 1.Y29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.21 L 0.13 K 0.13 C 0.1 D 0.09 I 0.05 N 0.01 R 0.01 C Shift Assignments>> C :: 175.508(D) CA :: 57.690(D) CB :: 40.920 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 :: 9.076 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 :: 120.112 Ave N Shift Values>> N :: 120.52(4.2) 1.I30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.34 C 0.22 Y 0.21 F 0.15 E 0.04 C Shift Assignments>> C :: 175.871 CA :: 60.470(D) CB :: 37.857(D) 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 :: 7.814(D) 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 :: 123.418(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 H 0.14 W 0.12 E 0.12 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 174.941 CA :: 56.188(D) CB :: 29.218(D) 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 :: 8.388(D) 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 :: 124.673(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.15 K 0.14 E 0.12 Q 0.11 H 0.09 I 0.09 R 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 175.749 CA :: 58.705 CB :: 28.739 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 :: 9.326 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 :: 130.007 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.A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 C Shift Assignments>> C :: 178.270(D) CA :: 52.446(D) CB :: 18.276(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.638 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.279 Ave N Shift Values>> N :: 123.23(3.54) 1.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.208 CA :: 44.818(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.376(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.967(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.26 L 0.24 K 0.16 F 0.1 Y 0.07 C 0.05 N 0.05 R 0.03 C Shift Assignments>> C :: 175.477 CA :: 54.886(D) CB :: 41.524(D) 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 :: 7.990(D) 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 :: 121.024(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.38 C 0.22 Y 0.19 F 0.14 E 0.03 C Shift Assignments>> C :: 174.960 CA :: 60.794(D) CB :: 37.824(D) 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 :: 8.094(D) 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 :: 120.827(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.138(D) CA :: 61.405(D) CB :: 69.216(D) 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 :: 8.125(D) 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 :: 117.656(D) Ave N Shift Values>> N :: 115.42(4.75) 1.W38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 K 0.14 H 0.13 W 0.13 E 0.13 C 0.11 R 0.11 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 176.031(D) CA :: 56.824(D) CB :: 29.257(D) 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 :: 8.063(D) 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 :: 123.307(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.14 K 0.14 W 0.12 E 0.12 R 0.11 C 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 176.148(D) CA :: 55.908(D) CB :: 29.327(D) 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 :: 8.219(D) 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 :: 122.625(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 K 0.17 C 0.15 R 0.12 H 0.11 Q 0.08 W 0.08 E 0.06 V 0.01 HN Overlap>> 2.K169 2.K169 C Shift Assignments>> C :: 176.653 CA :: 56.138(D) CB :: 32.399(D) 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 :: 8.118(D) 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 :: 121.797(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 N 0.17 L 0.17 F 0.11 Y 0.09 C 0.06 K 0.03 HN Overlap>> 2.V176 2.V176 C Shift Assignments>> C :: 174.923 CA :: 54.291(D) CB :: 40.485(D) 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 :: 8.345(D) 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 :: 121.034(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.14 C 0.01 C Shift Assignments>> C :: 177.846(D) CA :: 52.220(D) CB :: 18.475(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.123(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.589(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.01 I 0.01 HN Overlap>> 2.R105 2.R105 C Shift Assignments>> C :: 174.206 CA :: 56.167(D) CB :: 29.094(D) 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 :: 8.341(D) 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 :: 119.757(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.37 P 0.26 C 0.2 W 0.05 K 0.02 R 0.02 H 0.01 E 0.01 I 0.01 M 0.01 HN Overlap>> 1.F61 1.F61 C Shift Assignments>> C :: 176.665(D) CA :: 62.040(D) CB :: 32.174(D) 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 :: 8.169(D) 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 :: 120.991(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.300(D) CA :: 61.631(D) CB :: 69.313(D) 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 :: 8.235(D) 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 :: 117.141(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.408 CA :: 44.979(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.363(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.634(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.15 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 172.864 CA :: 51.853 CB :: 38.773 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 :: 7.859 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 :: 119.153 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 54.464 CB :: 62.547 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.226 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 :: 113.089 Ave N Shift Values>> N :: 116.28(3.52) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.35 P 0.29 C 0.19 W 0.05 K 0.02 R 0.02 I 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 175.227 CA :: 62.169 CB :: 31.948 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) 1.R50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 E 0.12 C 0.11 K 0.1 M 0.06 C Shift Assignments>> C :: 176.169(D) CA :: 55.461(D) CB :: 29.825 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 :: 8.419 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 :: 120.186 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.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.24 K 0.14 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 174.743 CA :: 54.500(D) CB :: 41.414(D) 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 :: 8.381(D) 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 :: 123.850(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.19 L 0.18 F 0.09 Y 0.07 C 0.06 K 0.04 HN Overlap>> 2.R64 2.R64 C Shift Assignments>> C :: 175.883(D) CA :: 53.809(D) CB :: 40.662(D) 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 :: 8.437(D) 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 :: 121.233(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.34 C 0.24 P 0.15 W 0.06 K 0.04 R 0.03 H 0.02 E 0.02 M 0.02 Q 0.01 C Shift Assignments>> C :: 175.606(D) CA :: 61.389(D) CB :: 32.330(D) 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 :: 7.892(D) 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 :: 119.288(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.547(D) CA :: 51.803(D) CB :: 18.349(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.373(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.393(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.25 K 0.16 F 0.08 Y 0.06 N 0.05 C 0.05 R 0.04 HN Overlap>> 2.D86 2.D86 C Shift Assignments>> C :: 176.880 CA :: 54.633(D) CB :: 41.635(D) 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 :: 8.231(D) 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 :: 121.699(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.21 L 0.17 F 0.09 Y 0.07 C 0.06 K 0.03 HN Overlap>> 2.I156 2.I156 C Shift Assignments>> C :: 177.067 CA :: 53.762 CB :: 40.537 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 :: 8.331 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 :: 120.815 Ave N Shift Values>> N :: 120.65(3.86) 1.E57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 176.796(D) CA :: 56.074(D) CB :: 28.994 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 :: 8.233 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 :: 114.198 Ave N Shift Values>> N :: 120.67(3.48) 1.S58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.202(D) CA :: 58.672(D) CB :: 63.580(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.410(D) 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 :: 116.460(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.598(D) CA :: 44.836(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.307(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.422(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.21 L 0.17 F 0.09 Y 0.07 C 0.06 K 0.03 C Shift Assignments>> C :: 176.049(D) CA :: 53.813(D) CB :: 40.535(D) 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 :: 8.133(D) 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 :: 120.229(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.25 C 0.17 I 0.08 D 0.06 N 0.04 L 0.03 E 0.02 M 0.01 HN Overlap>> 1.V44 1.V44 C Shift Assignments>> C :: 175.716(D) CA :: 57.260(D) CB :: 38.742 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 :: 8.211(D) 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 :: 120.891(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.141(D) CA :: 58.047(D) CB :: 63.504(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.228(D) 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 :: 117.345(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.23 K 0.14 F 0.1 Y 0.07 N 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 177.112(D) CA :: 54.701(D) CB :: 41.341(D) 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 :: 8.213(D) 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 :: 124.095(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.36 C 0.22 P 0.21 W 0.05 K 0.03 R 0.02 H 0.01 E 0.01 M 0.01 C Shift Assignments>> C :: 176.038(D) CA :: 61.769(D) CB :: 32.272(D) 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 :: 8.093(D) 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 :: 121.317(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.14 K 0.13 W 0.12 E 0.12 R 0.12 C 0.11 M 0.04 I 0.01 HN Overlap>> 2.I165 2.I165 C Shift Assignments>> C :: 176.360 CA :: 55.873(D) CB :: 29.419(D) 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 :: 8.508(D) 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 :: 125.169(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.15 H 0.14 K 0.13 W 0.12 E 0.12 R 0.12 C 0.11 M 0.04 I 0.01 C Shift Assignments>> C :: 176.125 CA :: 56.015 CB :: 29.496 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) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.18 N 0.17 F 0.09 Y 0.07 C 0.06 K 0.05 C Shift Assignments>> C :: 176.316 CA :: 53.965 CB :: 40.689 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 :: 8.524 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 :: 121.845 Ave N Shift Values>> N :: 120.65(3.86) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.27 R 0.26 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.044 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.139 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.986 Ave N Shift Values>> N :: 109.67(3.87) 1.P69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.28 V 0.27 C 0.2 W 0.07 I 0.07 R 0.02 E 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 177.022 CA :: 62.453 CB :: 30.922 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) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.14 K 0.14 R 0.14 H 0.14 W 0.08 E 0.06 Q 0.05 C Shift Assignments>> C :: 176.056 CA :: 54.938 CB :: 31.945 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 :: 8.458 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 :: 120.662 Ave N Shift Values>> N :: 120.09(3.57) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.14 R 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.06 C Shift Assignments>> C :: 175.204 CA :: 55.419 CB :: 29.908 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 :: 8.363 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 :: 122.974 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.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 C 0.13 R 0.13 H 0.13 Q 0.11 K 0.07 M 0.05 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.602 CB :: 30.157 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 :: 8.085 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 :: 127.306 Ave N Shift Values>> N :: 120.67(3.48) 2.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.63 L 0.19 R 0.07 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.731 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 2.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C 0.01 C Shift Assignments>> C :: 177.793 CA :: 51.854 CB :: 18.560 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.125 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.703 Ave N Shift Values>> N :: 123.23(3.54) 2.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.13 F 0.11 Y 0.08 N 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.937 CA :: 54.906 CB :: 41.230 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 :: 8.030 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 :: 120.529 Ave N Shift Values>> N :: 121.86(3.9) 2.W5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.564 CA :: 56.246 CB :: 29.011 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 :: 7.606 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 :: 118.653 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.2 L 0.18 F 0.08 Y 0.06 C 0.05 K 0.04 C Shift Assignments>> C :: 175.474 CA :: 53.583 CB :: 40.691 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 :: 8.109 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 :: 121.481 Ave N Shift Values>> N :: 120.65(3.86) 2.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 V 0.13 K 0.12 W 0.11 R 0.09 M 0.08 H 0.07 E 0.07 Q 0.03 C Shift Assignments>> CA :: 59.390 CB :: 32.162 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 :: 7.921 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 :: 121.225 Ave N Shift Values>> N :: 121.14(4.54) 2.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.31 V 0.3 C 0.19 W 0.06 I 0.04 R 0.02 E 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 176.268 CA :: 62.426 CB :: 31.229 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) 2.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C Shift Assignments>> CA :: 49.946 CB :: 17.092 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.345 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.286 Ave N Shift Values>> N :: 123.23(3.54) 2.P10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.16 H 0.14 K 0.14 W 0.12 E 0.12 R 0.11 C 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 176.204 CA :: 55.736 CB :: 29.305 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) 2.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.36 P 0.24 C 0.21 W 0.05 K 0.02 R 0.02 H 0.01 E 0.01 M 0.01 I 0.01 HN Overlap>> 1.V26 1.V26 C Shift Assignments>> C :: 176.037 CA :: 61.916 CB :: 32.198 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 :: 8.275 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 :: 122.253 Ave N Shift Values>> N :: 121.14(4.54) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.15 C 0.14 R 0.13 H 0.13 W 0.08 E 0.06 Q 0.05 C Shift Assignments>> C :: 176.284 CA :: 55.289 CB :: 32.069 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 :: 8.439 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 :: 125.582 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.15 C 0.14 R 0.13 H 0.12 W 0.09 E 0.07 Q 0.05 V 0.01 C Shift Assignments>> C :: 177.430 CA :: 56.067 CB :: 32.035 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 :: 8.488 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 :: 123.241 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.011 CA :: 44.382 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.508 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.788 Ave N Shift Values>> N :: 109.67(3.87) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 K 0.15 H 0.14 W 0.12 E 0.12 C 0.11 R 0.11 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 177.466 CA :: 56.283 CB :: 29.177 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 :: 7.808 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 :: 121.067 Ave N Shift Values>> N :: 120.67(3.48) 2.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.207 CA :: 59.995 CB :: 68.768 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 :: 8.488 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 :: 113.744 Ave N Shift Values>> N :: 115.42(4.75) 2.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.844 CA :: 62.364 CB :: 68.972 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 :: 7.746 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 :: 116.633 Ave N Shift Values>> N :: 115.42(4.75) 2.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 N 0.15 Y 0.14 L 0.14 C 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 176.916 CA :: 55.149 CB :: 40.020 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 :: 8.923 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 :: 126.632 Ave N Shift Values>> N :: 120.65(3.86) 2.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.523 CA :: 44.798 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.667 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.763 Ave N Shift Values>> N :: 109.67(3.87) 2.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 K 0.16 Q 0.14 V 0.11 M 0.11 R 0.04 W 0.04 H 0.03 E 0.02 C Shift Assignments>> C :: 176.313 CA :: 59.012 CB :: 33.726 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 :: 8.661 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 :: 118.535 Ave N Shift Values>> N :: 121.14(4.54) 2.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.19 D 0.19 F 0.14 Y 0.1 C 0.06 R 0.03 N 0.02 I 0.01 C Shift Assignments>> C :: 174.912 CA :: 55.977 CB :: 41.448 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 :: 9.297 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 :: 126.999 Ave N Shift Values>> N :: 120.52(4.2) 2.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 K 0.14 R 0.14 C 0.14 H 0.13 W 0.09 E 0.08 Q 0.06 C Shift Assignments>> CA :: 55.638 CB :: 31.850 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 :: 9.157 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 :: 118.139 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.54 C 0.12 M 0.1 H 0.06 R 0.05 K 0.04 W 0.03 Q 0.01 C Shift Assignments>> C :: 175.612 CA :: 51.439 CB :: 32.065 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) 2.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 2.G103 2.V95 2.G103 2.V95 C Shift Assignments>> C :: 173.528 CA :: 59.390 CB :: 70.675 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 :: 8.905 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 :: 111.767 Ave N Shift Values>> N :: 115.42(4.75) 2.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.15 E 0.13 W 0.13 Q 0.13 C 0.12 M 0.08 K 0.06 C Shift Assignments>> C :: 175.656 CA :: 56.068 CB :: 30.311 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 :: 8.638 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 :: 125.877 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.R29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 C 0.13 M 0.12 W 0.11 Q 0.11 E 0.09 K 0.07 C Shift Assignments>> CA :: 54.316 CB :: 30.715 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 :: 8.268 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 :: 124.952 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.29 Y 0.26 C 0.12 L 0.09 D 0.09 I 0.07 K 0.03 N 0.01 C Shift Assignments>> C :: 178.209 CA :: 57.682 CB :: 40.163 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) 2.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.18 N 0.15 F 0.11 Y 0.09 C 0.06 K 0.05 C Shift Assignments>> C :: 176.878 CA :: 54.439 CB :: 40.617 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 :: 8.044 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 :: 116.603 Ave N Shift Values>> N :: 121.86(3.9) 2.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.026 CA :: 44.547 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.721 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.192 Ave N Shift Values>> N :: 109.67(3.87) 2.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.758 CA :: 57.490 CB :: 65.333 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.603 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 :: 116.781 Ave N Shift Values>> N :: 116.28(3.52) 2.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.387 CA :: 60.619 CB :: 71.403 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 :: 8.765 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 :: 117.558 Ave N Shift Values>> N :: 115.42(4.75) 2.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 E 0.11 C 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.494 CA :: 55.984 CB :: 28.967 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 :: 8.964 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 :: 127.307 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.26 C 0.25 W 0.1 P 0.09 K 0.06 R 0.05 E 0.04 H 0.04 M 0.03 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.347 CA :: 60.835 CB :: 31.953 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 :: 8.971 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 :: 120.682 Ave N Shift Values>> N :: 121.14(4.54) 2.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 HN Overlap>> 2.C80 2.C80 C Shift Assignments>> C :: 170.150 CA :: 46.031 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.985 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.916 Ave N Shift Values>> N :: 109.67(3.87) 2.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.14 V 0.12 I 0.09 K 0.06 M 0.05 Y 0.05 Q 0.05 F 0.02 W 0.01 HN Overlap>> 2.K107 2.K107 C Shift Assignments>> C :: 174.599 CA :: 60.050 CB :: 35.207 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 :: 8.736 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 :: 122.036 Ave N Shift Values>> N :: 121.14(4.54) 2.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.073 CA :: 46.045 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.134 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.761 Ave N Shift Values>> N :: 109.67(3.87) 2.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 I 0.16 E 0.16 V 0.09 Y 0.08 F 0.04 M 0.03 K 0.03 Q 0.01 C Shift Assignments>> C :: 174.773 CA :: 60.405 CB :: 35.757 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 :: 8.715 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 :: 116.678 Ave N Shift Values>> N :: 121.14(4.54) 2.M41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.26 C 0.25 Q 0.15 K 0.1 N 0.06 E 0.05 H 0.02 R 0.02 Y 0.01 W 0.01 C Shift Assignments>> C :: 175.119 CA :: 52.906 CB :: 34.780 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 :: 9.903 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 :: 133.683(S) Ave N Shift Values>> N :: 120.09(3.57) 2.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.14 K 0.14 R 0.14 H 0.12 W 0.1 E 0.08 Q 0.06 V 0.01 C Shift Assignments>> C :: 174.584 CA :: 56.299 CB :: 31.834 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 :: 9.309 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 :: 129.046 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 L 0.14 C 0.14 Q 0.12 W 0.08 H 0.08 K 0.07 E 0.06 I 0.05 C Shift Assignments>> C :: 175.802 CA :: 57.105 CB :: 27.358 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 :: 9.398 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 :: 124.873 Ave N Shift Values>> N :: 120.67(3.48) 2.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.642 CA :: 44.936 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.306 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.404 Ave N Shift Values>> N :: 109.67(3.87) 2.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 V 0.22 K 0.1 Q 0.09 M 0.06 E 0.03 W 0.03 I 0.02 R 0.02 H 0.01 Y 0.01 C Shift Assignments>> C :: 174.964 CA :: 60.243 CB :: 34.106 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 :: 7.569 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 :: 120.102 Ave N Shift Values>> N :: 121.14(4.54) 2.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 L 0.17 D 0.16 K 0.11 C 0.09 N 0.02 I 0.02 C Shift Assignments>> CA :: 56.727 CB :: 40.805 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 :: 7.941 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 :: 125.641 Ave N Shift Values>> N :: 120.45(4.18) 2.H47 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.22 R 0.1 P 0.08 W 0.07 Q 0.03 L 0.02 E 0.02 H 0.02 K 0.02 C Shift Assignments>> C :: 178.696 CA :: 60.588 CB :: 26.989 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 :: 7.356 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 :: 124.622 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.21 C 0.2 I 0.15 L 0.1 W 0.08 Q 0.08 H 0.05 K 0.05 E 0.04 C Shift Assignments>> C :: 175.134 CA :: 58.739 CB :: 26.843 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 :: 9.847 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 :: 112.582 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.38 C 0.12 I 0.08 W 0.01 C Shift Assignments>> C :: 175.556 CA :: 64.948 CB :: 30.809 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 :: 6.997 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 :: 119.649 Ave N Shift Values>> N :: 121.14(4.54) 2.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.908 CA :: 59.926 CB :: 70.037 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 :: 6.333 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 :: 101.181 Ave N Shift Values>> N :: 115.42(4.75) 2.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.2 H 0.15 C 0.13 W 0.13 R 0.12 E 0.11 L 0.07 M 0.03 I 0.01 K 0.01 C Shift Assignments>> C :: 175.734 CA :: 55.669 CB :: 28.477 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 :: 9.181 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 :: 121.983 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G55 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 :: 172.956 CA :: 44.679 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.029 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.286 Ave N Shift Values>> N :: 109.67(3.87) 2.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C 0.01 C Shift Assignments>> C :: 177.750 CA :: 51.584 CB :: 18.848 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.331 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.080 Ave N Shift Values>> N :: 123.23(3.54) 2.A57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C 0.01 C Shift Assignments>> C :: 175.750 CA :: 52.694 CB :: 18.182 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.037 Ave N Shift Values>> N :: 123.23(3.54) 2.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.05 C 0.01 D 0.01 C Shift Assignments>> C :: 176.273 CA :: 51.703 CB :: 45.157 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 :: 8.059 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 :: 116.194 Ave N Shift Values>> N :: 121.86(3.9) 2.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 R 0.13 W 0.12 E 0.11 C 0.11 K 0.11 M 0.06 C Shift Assignments>> C :: 175.260 CA :: 55.313 CB :: 29.714 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 :: 8.672 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 :: 122.222 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.338 CA :: 55.317 CB :: 62.570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.020 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 :: 116.866 Ave N Shift Values>> N :: 116.28(3.52) 2.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 175.001 CA :: 46.543 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.418 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.655 Ave N Shift Values>> N :: 109.67(3.87) 2.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.14 K 0.14 W 0.12 E 0.12 R 0.11 C 0.11 M 0.04 L 0.01 I 0.01 C Shift Assignments>> C :: 176.519 CA :: 55.951 CB :: 29.298 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 :: 9.086 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 :: 125.501 Ave N Shift Values>> N :: 120.67(3.48) 2.G63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.3 G 0.19 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.178 CA :: 43.861 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.847 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.027 Ave N Shift Values>> N :: 109.67(3.87) 2.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.16 C 0.15 R 0.11 H 0.11 Q 0.1 W 0.06 E 0.04 HN Overlap>> 1.D52 1.D52 C Shift Assignments>> C :: 174.986 CA :: 54.585 CB :: 32.502 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 :: 8.437 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 :: 121.206 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.13 K 0.09 F 0.06 C 0.05 Y 0.04 R 0.02 C Shift Assignments>> C :: 175.234 CA :: 53.260 CB :: 41.403 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 :: 9.699 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 :: 125.277 Ave N Shift Values>> N :: 121.86(3.9) 2.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 K 0.05 C 0.05 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> CA :: 51.730 CB :: 41.402 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 :: 7.522 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 :: 122.864 Ave N Shift Values>> N :: 120.65(3.86) 2.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.24 I 0.23 V 0.18 P 0.15 W 0.09 E 0.02 R 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 174.692 CA :: 62.664 CB :: 29.940 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) 2.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 S 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.02 C Shift Assignments>> C :: 174.558 CA :: 58.525 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 :: 9.613 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 :: 124.326 Ave N Shift Values>> N :: 120.52(4.2) 2.W69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.15 E 0.13 W 0.13 C 0.12 Q 0.11 M 0.09 K 0.07 C Shift Assignments>> C :: 173.005 CA :: 56.378 CB :: 30.660 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 :: 8.049 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 :: 121.176 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 170.364 CA :: 45.108 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.020 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.639 Ave N Shift Values>> N :: 109.67(3.87) 2.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.28 R 0.12 D 0.08 C 0.04 F 0.01 C Shift Assignments>> C :: 175.651 CA :: 52.908 CB :: 44.208 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 :: 7.867 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 :: 117.813 Ave N Shift Values>> N :: 120.65(3.86) 2.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.38 P 0.35 C 0.13 I 0.1 W 0.01 C Shift Assignments>> C :: 176.331 CA :: 65.051 CB :: 30.665 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 :: 8.120 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 :: 126.280 Ave N Shift Values>> N :: 121.14(4.54) 2.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.15 R 0.12 E 0.12 H 0.1 K 0.08 M 0.07 Q 0.06 V 0.05 I 0.01 C Shift Assignments>> C :: 178.532 CA :: 58.861 CB :: 31.133 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 :: 7.585 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 :: 121.036 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.13 W 0.12 E 0.12 C 0.11 R 0.1 M 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 176.278 CA :: 56.481 CB :: 28.999 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 :: 7.709 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 :: 112.291 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.16 Y 0.12 F 0.09 D 0.08 E 0.05 M 0.03 L 0.02 I 0.01 C Shift Assignments>> C :: 175.385 CA :: 54.316 CB :: 37.857 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 :: 7.878 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 :: 115.660 Ave N Shift Values>> N :: 120.65(3.86) 2.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 C 0.24 L 0.09 C Shift Assignments>> CA :: 53.545 CB :: 48.229 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 :: 7.723 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 :: 116.225 Ave N Shift Values>> N :: 121.86(3.9) 2.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.34 E 0.14 V 0.1 K 0.08 M 0.07 Q 0.07 I 0.06 Y 0.04 F 0.02 W 0.01 R 0.01 H 0.01 C Shift Assignments>> C :: 171.441 CA :: 59.648 CB :: 35.054 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) 2.S78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.58 S 0.41 C Shift Assignments>> CA :: 56.508 CB :: 67.508 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.179 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 :: 120.970 Ave N Shift Values>> N :: 116.28(3.52) 2.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> F 0.26 Y 0.23 L 0.12 D 0.12 C 0.11 K 0.05 I 0.05 N 0.02 C Shift Assignments>> C :: 176.468 CA :: 57.201 CB :: 40.372 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) 2.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.22 F 0.16 E 0.15 N 0.06 I 0.06 M 0.03 D 0.02 L 0.01 HN Overlap>> 2.G37 2.G37 C Shift Assignments>> C :: 173.263 CA :: 56.781 CB :: 37.650 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.976 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 :: 109.813 Ave N Shift Values>> N :: 120.17(4.64) 2.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.26 G 0.26 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 167.892 CA :: 44.023 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.277 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.504 Ave N Shift Values>> N :: 109.67(3.87) 2.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.31 C 0.23 P 0.19 W 0.08 R 0.03 K 0.03 E 0.02 H 0.02 I 0.02 M 0.01 C Shift Assignments>> C :: 172.623 CA :: 61.566 CB :: 31.786 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) 2.W83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 W 0.15 K 0.13 I 0.12 E 0.11 Q 0.1 H 0.08 R 0.07 M 0.01 L 0.01 C Shift Assignments>> C :: 177.986 CA :: 59.169 CB :: 28.759 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 :: 7.838 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 :: 117.286 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.K84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.25 Q 0.18 C 0.17 K 0.16 H 0.07 R 0.07 W 0.03 E 0.01 C Shift Assignments>> C :: 177.127 CA :: 54.291 CB :: 33.321 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 :: 10.853(S) 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 :: 127.669 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.36 Y 0.14 C 0.13 D 0.13 F 0.12 L 0.04 E 0.02 M 0.01 I 0.01 C Shift Assignments>> CA :: 54.557 CB :: 38.417 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 :: 5.687(S) 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 :: 117.827 Ave N Shift Values>> N :: 121.86(3.9) 2.D86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.11 K 0.1 F 0.05 C 0.04 R 0.03 Y 0.03 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 176.339 CA :: 52.854 CB :: 41.714 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 :: 8.239 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 :: 121.602 Ave N Shift Values>> N :: 120.65(3.86) 2.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 175.075 CA :: 52.502 CB :: 18.915 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.352 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.986 Ave N Shift Values>> N :: 123.23(3.54) 2.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 C 0.09 L 0.09 G 0.06 C Shift Assignments>> C :: 178.723 CA :: 49.257 CB :: 21.945 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.356 Ave N Shift Values>> N :: 123.23(3.54) 2.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.19 L 0.14 Q 0.13 C 0.12 W 0.09 H 0.09 K 0.08 E 0.07 I 0.03 M 0.01 HN Overlap>> 2.I123 2.I123 C Shift Assignments>> C :: 176.974 CA :: 56.590 CB :: 27.572 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 :: 9.360 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 :: 123.430 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.22 F 0.1 Y 0.1 C 0.09 L 0.07 C Shift Assignments>> CA :: 53.981 CB :: 39.185 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 :: 8.692 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 :: 130.079 Ave N Shift Values>> N :: 120.65(3.86) 2.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.355 CA :: 43.826 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 2.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.16 C 0.06 F 0.01 C Shift Assignments>> C :: 177.116 CA :: 55.449 CB :: 46.126 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 :: 7.941 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 :: 119.075 Ave N Shift Values>> N :: 121.86(3.9) 2.S93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.616 CA :: 59.091 CB :: 64.081 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.914 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 :: 117.694 Ave N Shift Values>> N :: 116.28(3.52) 2.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 W 0.15 R 0.14 H 0.14 C 0.13 Q 0.11 K 0.07 M 0.05 I 0.01 V 0.01 C Shift Assignments>> C :: 175.700 CA :: 57.420 CB :: 30.213 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 :: 8.795 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 :: 118.872 Ave N Shift Values>> N :: 120.67(3.48) 2.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 Q 0.18 K 0.17 M 0.14 V 0.06 R 0.04 H 0.04 E 0.03 W 0.03 Y 0.01 HN Overlap>> 2.T27 2.G103 2.T27 2.G103 C Shift Assignments>> C :: 174.831 CA :: 58.157 CB :: 33.873 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 :: 8.977 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 :: 111.724 Ave N Shift Values>> N :: 121.14(4.54) 2.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.18 C 0.14 Q 0.14 R 0.14 W 0.11 K 0.09 M 0.07 E 0.07 C Shift Assignments>> C :: 175.423 CA :: 53.150 CB :: 29.740 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 :: 8.726 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 :: 115.115 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.16 G 0.14 C 0.04 F 0.03 K 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 173.703 CA :: 53.092 CB :: 43.526 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 :: 9.134 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 :: 123.641 Ave N Shift Values>> N :: 121.86(3.9) 2.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 D 0.28 L 0.09 F 0.07 C 0.07 Y 0.06 C Shift Assignments>> C :: 173.627 CA :: 53.033 CB :: 39.743 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 :: 8.747 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 :: 133.384 Ave N Shift Values>> N :: 121.86(3.9) 2.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.17 C Shift Assignments>> C :: 177.413 CA :: 51.297 CB :: 17.438 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.955 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.260 Ave N Shift Values>> N :: 123.23(3.54) 2.V100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 H 0.11 R 0.11 Q 0.11 K 0.1 I 0.03 M 0.03 V 0.01 C Shift Assignments>> CA :: 58.407 CB :: 29.800 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 :: 7.015 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 :: 121.536 Ave N Shift Values>> N :: 121.14(4.54) 2.P101 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.3 V 0.27 C 0.2 I 0.07 W 0.07 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 178.438 CA :: 62.596 CB :: 30.871 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) 2.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 HN Overlap>> 2.T27 2.V126 2.T27 2.V126 2.V95 2.V95 C Shift Assignments>> C :: 173.165 CA :: 45.579 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.000 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.741 Ave N Shift Values>> N :: 109.67(3.87) 2.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.18 K 0.15 Q 0.14 H 0.09 R 0.08 W 0.04 E 0.02 C Shift Assignments>> C :: 175.304 CA :: 53.457 CB :: 32.969 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 :: 7.654 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 :: 118.133 Ave N Shift Values>> N :: 120.67(3.48) 2.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 K 0.11 C 0.11 M 0.05 HN Overlap>> 1.E43 1.E43 C Shift Assignments>> C :: 174.999 CA :: 55.425 CB :: 29.670 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 :: 8.400 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 :: 119.853 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.11 C 0.01 C Shift Assignments>> C :: 177.485 CA :: 51.524 CB :: 18.366 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.177 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.340 Ave N Shift Values>> N :: 123.23(3.54) 2.K107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.22 E 0.15 Q 0.14 K 0.11 N 0.03 Y 0.02 H 0.02 R 0.01 F 0.01 HN Overlap>> 2.V38 2.V38 C Shift Assignments>> C :: 172.920 CA :: 54.859 CB :: 35.121 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 :: 8.776 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 :: 122.092 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.14 C 0.09 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> C :: 174.154 CA :: 52.652 CB :: 38.589 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 :: 8.380 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 :: 121.898 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.I109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.29 I 0.17 C 0.14 L 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 173.787 CA :: 59.141 CB :: 39.907 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 :: 8.975 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 :: 122.251 Ave N Shift Values>> N :: 121.46(4.28) 2.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.15 Q 0.14 C 0.12 W 0.12 E 0.09 M 0.08 K 0.08 C Shift Assignments>> C :: 173.336 CA :: 54.161 CB :: 30.022 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 :: 9.183 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 :: 129.283 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.T111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 170.688 CA :: 60.529 CB :: 69.510 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 :: 8.827 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 :: 116.914 Ave N Shift Values>> N :: 115.42(4.75) 2.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 L 0.2 N 0.18 C 0.06 K 0.05 F 0.03 R 0.02 Y 0.02 G 0.01 C Shift Assignments>> CA :: 50.891 CB :: 41.748 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 :: 8.148 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 :: 128.717 Ave N Shift Values>> N :: 121.86(3.9) 2.P113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.22 V 0.22 P 0.21 I 0.18 W 0.08 R 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 177.323 CA :: 62.823 CB :: 30.199 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) 2.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.31 K 0.08 D 0.08 F 0.06 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 172.640 CA :: 42.911 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.406 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.290 Ave N Shift Values>> N :: 109.67(3.87) 2.I115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 V 0.03 M 0.03 T 0.03 L 0.01 C Shift Assignments>> C :: 175.644 CA :: 58.922 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 :: 8.470 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 :: 115.440 Ave N Shift Values>> N :: 121.46(4.28) 2.F116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.23 R 0.16 G 0.12 C 0.05 K 0.04 N 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.623 CA :: 51.913 CB :: 43.041 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 :: 9.505 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 :: 122.910 Ave N Shift Values>> N :: 120.45(4.18) 2.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.16 C 0.12 W 0.12 Q 0.12 E 0.11 M 0.1 K 0.07 C Shift Assignments>> C :: 176.487 CA :: 55.156 CB :: 30.632 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 :: 9.409 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 :: 125.022 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.T118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.643 CA :: 59.139 CB :: 72.781 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 :: 7.916 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 :: 115.266 Ave N Shift Values>> N :: 115.42(4.75) 2.K119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.15 W 0.15 R 0.14 E 0.14 H 0.13 Q 0.09 K 0.07 M 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 176.483 CA :: 57.879 CB :: 30.748 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 :: 9.195 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 :: 120.685 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.14 F 0.06 N 0.06 R 0.06 C 0.04 Y 0.04 C Shift Assignments>> C :: 175.080 CA :: 53.860 CB :: 41.877 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 :: 7.908 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 :: 116.798 Ave N Shift Values>> N :: 120.65(3.86) 2.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.3 G 0.18 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.667 CA :: 43.819 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.423 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.339 Ave N Shift Values>> N :: 109.67(3.87) 2.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.15 F 0.08 K 0.07 Y 0.06 C 0.05 C Shift Assignments>> C :: 176.822 CA :: 53.649 CB :: 41.008 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 :: 8.701 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 :: 122.536 Ave N Shift Values>> N :: 120.65(3.86) 2.I123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.22 I 0.14 K 0.14 C 0.13 L 0.05 R 0.01 D 0.01 HN Overlap>> 2.W89 2.W89 C Shift Assignments>> C :: 175.555 CA :: 59.846 CB :: 41.317 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 :: 9.365 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 :: 123.366 Ave N Shift Values>> N :: 121.46(4.28) 2.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 171.649 CA :: 46.429 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.441 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.499 Ave N Shift Values>> N :: 109.67(3.87) 2.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 C 0.03 L 0.02 C Shift Assignments>> C :: 175.923 CA :: 50.050 CB :: 20.817 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.591 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.593 Ave N Shift Values>> N :: 123.23(3.54) 2.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 K 0.19 Q 0.16 M 0.16 R 0.07 H 0.06 W 0.05 V 0.04 E 0.03 HN Overlap>> 2.G103 2.G103 C Shift Assignments>> C :: 174.478 CA :: 57.536 CB :: 33.276 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 :: 9.103 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 :: 111.761 Ave N Shift Values>> N :: 121.14(4.54) 2.A127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> A 0.85 M 0.13 C Shift Assignments>> C :: 175.087 CA :: 49.705 CB :: 16.744 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.728 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 135.315(S) Ave N Shift Values>> N :: 123.23(3.54) 2.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 C 0.02 D 0.01 R 0.01 C Shift Assignments>> C :: 175.860 CA :: 52.791 CB :: 45.306 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 :: 7.107 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 :: 117.599 Ave N Shift Values>> N :: 121.86(3.9) 2.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.25 K 0.14 R 0.11 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> C :: 172.470 CA :: 54.083 CB :: 42.268 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 :: 9.107 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 :: 127.235 Ave N Shift Values>> N :: 120.65(3.86) 2.Y130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.24 D 0.13 C 0.13 L 0.09 N 0.07 I 0.04 C Shift Assignments>> CA :: 56.549 CB :: 39.490 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 :: 7.494 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 :: 124.320 Ave N Shift Values>> N :: 120.52(4.2) 2.P131 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A132 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.24 R 0.12 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.655 CA :: 44.490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.174 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.853 Ave N Shift Values>> N :: 109.67(3.87) 2.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.868 CA :: 63.230 CB :: 68.193 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 :: 8.109 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 :: 115.258 Ave N Shift Values>> N :: 115.42(4.75) 2.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.038 CA :: 59.768 CB :: 63.271 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.658 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 :: 119.729 Ave N Shift Values>> N :: 116.28(3.52) 2.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 G 0.24 F 0.04 C 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.765 CA :: 43.983 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.612 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.274 Ave N Shift Values>> N :: 109.67(3.87) 2.S137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.469 CB :: 62.868 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.680 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 :: 115.620 Ave N Shift Values>> N :: 116.28(3.52) 2.P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.37 P 0.26 C 0.2 W 0.04 K 0.02 R 0.01 H 0.01 E 0.01 M 0.01 I 0.01 C Shift Assignments>> C :: 173.631 CA :: 62.085 CB :: 32.252 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) 2.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.23 I 0.2 F 0.18 E 0.09 M 0.01 C Shift Assignments>> C :: 174.708 CA :: 59.036 CB :: 37.774 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 :: 8.552 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 :: 120.391 Ave N Shift Values>> N :: 121.46(4.28) 2.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.12 C 0.02 D 0.01 C Shift Assignments>> C :: 177.672 CA :: 53.367 CB :: 45.464 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 :: 9.981 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 :: 126.825 Ave N Shift Values>> N :: 121.86(3.9) 2.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.23 N 0.13 K 0.06 C 0.05 R 0.04 F 0.03 G 0.02 Y 0.02 C Shift Assignments>> C :: 177.838 CA :: 51.255 CB :: 42.004 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 :: 8.481 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 :: 117.356 Ave N Shift Values>> N :: 120.65(3.86) 2.K142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.15 H 0.14 E 0.14 W 0.14 C 0.13 Q 0.11 M 0.07 K 0.06 V 0.01 C Shift Assignments>> C :: 177.560 CA :: 57.037 CB :: 30.440 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 :: 7.825 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 :: 114.987 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.C143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.16 L 0.15 Y 0.14 N 0.13 C 0.08 K 0.02 I 0.01 C Shift Assignments>> C :: 175.196 CA :: 55.274 CB :: 40.187 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.896 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 :: 117.659 Ave N Shift Values>> N :: 120.17(4.64) 2.G144 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 0.02 F 0.01 C Shift Assignments>> C :: 173.087 CA :: 45.056 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.994 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.391 Ave N Shift Values>> N :: 109.67(3.87) 2.R145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 H 0.16 K 0.13 R 0.12 W 0.11 C 0.11 E 0.1 M 0.05 L 0.01 C Shift Assignments>> C :: 176.020 CA :: 54.722 CB :: 29.422 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 :: 8.205 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 :: 119.021 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 V 0.21 P 0.19 I 0.18 W 0.09 E 0.02 R 0.02 H 0.01 K 0.01 C Shift Assignments>> C :: 176.510 CA :: 62.627 CB :: 30.188 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 :: 8.529 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 :: 119.838 Ave N Shift Values>> N :: 121.14(4.54) 2.I147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.25 Y 0.18 F 0.12 E 0.08 V 0.01 M 0.01 HN Overlap>> 2.Y150 2.Y150 C Shift Assignments>> C :: 174.143 CA :: 60.434 CB :: 37.268 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 :: 9.082 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 :: 122.675 Ave N Shift Values>> N :: 121.46(4.28) 2.G148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.21 D 0.04 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.051 CA :: 43.914 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.407 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.711 Ave N Shift Values>> N :: 109.67(3.87) 2.L149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.2 D 0.2 G 0.08 C 0.04 K 0.04 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 174.465 CA :: 52.921 CB :: 43.193 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 :: 9.513 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 :: 116.149 Ave N Shift Values>> N :: 121.86(3.9) 2.Y150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 I 0.18 C 0.16 L 0.02 D 0.02 HN Overlap>> 2.I147 2.I147 C Shift Assignments>> CA :: 58.908 CB :: 39.310 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 :: 9.091 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 :: 122.571 Ave N Shift Values>> N :: 120.52(4.2) 2.G151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G153 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 :: 171.364 CA :: 45.827 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.740 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.044 Ave N Shift Values>> N :: 109.67(3.87) 2.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.23 M 0.08 K 0.07 Y 0.07 I 0.06 Q 0.05 V 0.04 F 0.03 C Shift Assignments>> C :: 171.936 CA :: 58.892 CB :: 35.511 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 :: 8.818 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 :: 118.699 Ave N Shift Values>> N :: 121.14(4.54) 2.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.25 C 0.25 P 0.11 W 0.11 R 0.05 K 0.04 E 0.04 H 0.04 M 0.02 I 0.02 Q 0.01 C Shift Assignments>> C :: 177.364 CA :: 61.085 CB :: 31.557 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 :: 8.089 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 :: 122.514 Ave N Shift Values>> N :: 121.14(4.54) 2.I156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.32 C 0.28 Y 0.14 E 0.09 F 0.09 V 0.02 M 0.01 HN Overlap>> 1.D56 1.D56 C Shift Assignments>> C :: 178.006 CA :: 60.817 CB :: 36.898 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 :: 8.371 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 :: 120.771 Ave N Shift Values>> N :: 121.46(4.28) 2.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.12 R 0.11 H 0.1 Q 0.06 V 0.06 K 0.05 M 0.04 I 0.03 C Shift Assignments>> C :: 177.658 CA :: 59.450 CB :: 30.626 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 :: 8.495 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 :: 119.687 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.22 M 0.1 E 0.08 Y 0.04 F 0.02 K 0.01 D 0.01 Q 0.01 C Shift Assignments>> C :: 176.566 CA :: 52.407 CB :: 36.441 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 :: 7.845 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 :: 114.199 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.309 CA :: 44.622 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.462 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.297 Ave N Shift Values>> N :: 109.67(3.87) 2.S160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.309 CA :: 58.485 CB :: 63.610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.830 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 :: 117.047 Ave N Shift Values>> N :: 116.28(3.52) 2.Y161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 L 0.18 F 0.17 Y 0.13 D 0.13 C 0.07 R 0.03 I 0.02 N 0.01 C Shift Assignments>> CA :: 56.914 CB :: 41.439 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 :: 7.745 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 :: 121.486 Ave N Shift Values>> N :: 120.52(4.2) 2.V162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> C 0.31 V 0.21 K 0.12 Q 0.1 M 0.07 W 0.04 R 0.03 H 0.02 E 0.02 I 0.01 Y 0.01 C Shift Assignments>> C :: 174.025 CA :: 59.989 CB :: 33.825 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) 2.S163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 175.176 CA :: 55.409 CB :: 66.576 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.284 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 :: 116.405 Ave N Shift Values>> N :: 116.28(3.52) 2.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 C 0.01 C Shift Assignments>> C :: 180.024 CA :: 53.007 CB :: 18.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.134 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.391 Ave N Shift Values>> N :: 123.23(3.54) 2.I165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 V 0.23 I 0.18 E 0.06 Y 0.04 K 0.02 F 0.02 M 0.01 Q 0.01 HN Overlap>> 1.E65 1.E65 2.E171 2.E171 C Shift Assignments>> C :: 174.587 CA :: 61.724 CB :: 35.330 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 :: 8.508 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 :: 125.222 Ave N Shift Values>> N :: 121.46(4.28) 2.T166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.745 CA :: 64.008 CB :: 68.302 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 :: 7.431 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 :: 122.711 Ave N Shift Values>> N :: 115.42(4.75) 2.Q167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.25 M 0.18 C 0.17 H 0.1 R 0.09 K 0.07 W 0.05 Q 0.03 E 0.02 C Shift Assignments>> C :: 175.980 CA :: 51.974 CB :: 32.023 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 :: 8.804 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 :: 129.266 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.G168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.349 CA :: 43.715 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.339 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.792 Ave N Shift Values>> N :: 109.67(3.87) 2.K169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 K 0.17 C 0.16 Q 0.15 R 0.08 H 0.08 W 0.04 E 0.02 HN Overlap>> 1.K40 1.K40 C Shift Assignments>> C :: 175.609 CA :: 54.667 CB :: 33.018 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 :: 8.105 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 :: 121.844 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.R170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 R 0.14 W 0.12 E 0.11 C 0.11 K 0.1 M 0.06 HN Overlap>> 2.E171 2.E171 C Shift Assignments>> C :: 176.186 CA :: 55.189 CB :: 29.832 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 :: 8.655 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 :: 125.227 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.15 R 0.13 W 0.12 E 0.12 C 0.11 K 0.11 M 0.06 HN Overlap>> 2.R170 2.I165 2.R170 2.I165 C Shift Assignments>> CA :: 55.557 CB :: 29.766 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 :: 8.578 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 :: 125.288 Ave N Shift Values>> N :: 120.67(3.48) 2.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> Q 0.15 H 0.15 R 0.12 W 0.12 K 0.12 E 0.12 C 0.11 M 0.05 C Shift Assignments>> C :: 176.333 CA :: 55.693 CB :: 29.570 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) 2.E173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 H 0.15 W 0.12 R 0.12 K 0.12 E 0.12 C 0.11 M 0.05 C Shift Assignments>> C :: 176.404 CA :: 55.816 CB :: 29.553 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 :: 8.590 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 :: 122.569 Ave N Shift Values>> N :: 120.67(3.48) 2.T174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.580 CB :: 69.255 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 :: 8.400 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 :: 119.128 Ave N Shift Values>> N :: 115.42(4.75) 2.P175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.32 V 0.3 C 0.19 W 0.06 I 0.05 R 0.01 E 0.01 H 0.01 K 0.01 C Shift Assignments>> C :: 176.875 CA :: 62.574 CB :: 31.148 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) 2.V176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.34 P 0.26 C 0.2 W 0.06 R 0.02 K 0.02 I 0.01 E 0.01 H 0.01 M 0.01 HN Overlap>> 1.D41 1.D41 C Shift Assignments>> C :: 175.494 CA :: 61.995 CB :: 31.847 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 :: 8.344 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 :: 120.977 Ave N Shift Values>> N :: 121.14(4.54) 2.E177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 R 0.14 H 0.14 C 0.13 Q 0.11 K 0.06 M 0.06 I 0.01 V 0.01 C Shift Assignments>> CA :: 57.440 CB :: 30.319 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 :: 7.979 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 :: 129.084 Ave N Shift Values>> N :: 120.67(3.48) 3.ACE1 Overall Status: Residue type ACE not supported. 3.K2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 3.R3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 216 #Clerical: 32 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 213 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 39 Shift Relative Order (SRO) Results: #Consistent: 252 #Suspicious: 0 C Shift Results: #Consistent: 509 #Duplicate: 77 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 163 #Duplicate: 28 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 163 #Duplicate: 28 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.Y29 C = 175.508(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.5672e-01 1.Y29 CA = 57.690(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.6084e-01 1.I30 CA = 60.470(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.7056e-01 1.I30 CB = 37.857(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.0196e-01 1.I30 H = 7.814(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9316e-01 1.I30 N = 123.418(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.4733e-01 1.E31 CA = 56.188(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8808e-01 1.E31 CB = 29.218(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4518e-01 1.E31 H = 8.388(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2169e-01 1.E31 N = 124.673(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5003e-01 1.A33 C = 178.270(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0350e-01 1.A33 CA = 52.446(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2596e-01 1.A33 CB = 18.276(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8835e-01 1.G34 CA = 44.818(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9136e-01 1.G34 H = 8.376(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4358e-01 1.G34 N = 107.967(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5990e-01 1.D35 CA = 54.886(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2308e-01 1.D35 CB = 41.524(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.9098e-01 1.D35 H = 7.990(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.8114e-01 1.D35 N = 121.024(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2281e-01 1.I36 CA = 60.794(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.6076e-01 1.I36 CB = 37.824(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.8989e-01 1.I36 H = 8.094(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8445e-01 1.I36 N = 120.827(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.8242e-01 1.T37 C = 174.138(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.1933e-01 1.T37 CA = 61.405(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.5301e-01 1.T37 CB = 69.216(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.5251e-01 1.T37 H = 8.125(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5285e-01 1.T37 N = 117.656(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.3783e-01 1.W38 C = 176.031(D), Expected = 176.12, Std = 2.0100, ChiSquare = 9.6468e-01 1.W38 CA = 56.824(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.4591e-01 1.W38 CB = 29.257(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.0794e-01 1.W38 H = 8.063(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.7385e-01 1.W38 N = 123.307(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.9710e-01 1.E39 C = 176.148(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1119e-01 1.E39 CA = 55.908(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9930e-01 1.E39 CB = 29.327(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9130e-01 1.E39 H = 8.219(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.5077e-01 1.E39 N = 122.625(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7426e-01 1.K40 CA = 56.138(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.1206e-01 1.K40 CB = 32.399(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2613e-01 1.K40 H = 8.118(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0448e-01 1.K40 N = 121.797(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4293e-01 1.D41 CA = 54.291(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4418e-01 1.D41 CB = 40.485(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.0736e-01 1.D41 H = 8.345(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5188e-01 1.D41 N = 121.034(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2076e-01 1.A42 C = 177.846(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6031e-01 1.A42 CA = 52.220(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.4218e-01 1.A42 CB = 18.475(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7002e-01 1.A42 H = 8.123(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9789e-01 1.A42 N = 123.589(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1922e-01 1.E43 CA = 56.167(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.8117e-01 1.E43 CB = 29.094(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.9434e-01 1.E43 H = 8.341(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8513e-01 1.E43 N = 119.757(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9305e-01 1.V44 C = 176.665(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.8232e-01 1.V44 CA = 62.040(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7497e-01 1.V44 CB = 32.174(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.5609e-01 1.V44 H = 8.169(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5668e-01 1.V44 N = 120.991(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.7382e-01 1.T45 C = 175.300(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.6587e-01 1.T45 CA = 61.631(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2010e-01 1.T45 CB = 69.313(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.9808e-01 1.T45 H = 8.235(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.9357e-01 1.T45 N = 117.141(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1712e-01 1.G46 CA = 44.979(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.8188e-01 1.G46 H = 8.363(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5951e-01 1.G46 N = 110.634(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0329e-01 1.R50 C = 176.169(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.0550e-01 1.R50 CA = 55.461(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.7094e-01 1.L51 CA = 54.500(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9901e-01 1.L51 CB = 41.414(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3365e-01 1.L51 H = 8.381(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1630e-01 1.L51 N = 123.850(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0987e-01 1.D52 C = 175.883(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6767e-01 1.D52 CA = 53.809(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6430e-01 1.D52 CB = 40.662(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.9295e-01 1.D52 H = 8.437(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.2668e-01 1.D52 N = 121.233(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7995e-01 1.V53 C = 175.606(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.9412e-01 1.V53 CA = 61.389(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0026e-01 1.V53 CB = 32.330(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.2317e-01 1.V53 H = 7.892(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5249e-01 1.V53 N = 119.288(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.8333e-01 1.A54 C = 177.547(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.2780e-01 1.A54 CA = 51.803(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.9952e-01 1.A54 CB = 18.349(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1795e-01 1.A54 H = 8.373(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.7309e-01 1.A54 N = 127.393(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.3960e-01 1.L55 CA = 54.633(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.4309e-01 1.L55 CB = 41.635(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1956e-01 1.L55 H = 8.231(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9877e-01 1.L55 N = 121.699(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6707e-01 1.E57 C = 176.796(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.6973e-01 1.E57 CA = 56.074(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.5106e-01 1.S58 C = 175.202(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3508e-01 1.S58 CA = 58.672(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.8150e-01 1.S58 CB = 63.580(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8183e-01 1.S58 H = 8.410(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.2561e-01 1.S58 N = 116.460(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5922e-01 1.G59 C = 173.598(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.8496e-01 1.G59 CA = 44.836(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.0129e-01 1.G59 H = 8.307(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7177e-01 1.G59 N = 110.422(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4593e-01 1.D60 C = 176.049(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.4103e-01 1.D60 CA = 53.813(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6573e-01 1.D60 CB = 40.535(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.3136e-01 1.D60 H = 8.133(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6023e-01 1.D60 N = 120.229(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1315e-01 1.F61 C = 175.716(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.8176e-01 1.F61 CA = 57.260(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4968e-01 1.F61 H = 8.211(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.3605e-01 1.F61 N = 120.891(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.1598e-01 1.S62 C = 174.141(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.8064e-01 1.S62 CA = 58.047(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4509e-01 1.S62 CB = 63.504(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4148e-01 1.S62 H = 8.228(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.2977e-01 1.S62 N = 117.345(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.6223e-01 1.L63 C = 177.112(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5087e-01 1.L63 CA = 54.701(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.6614e-01 1.L63 CB = 41.341(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0626e-01 1.L63 H = 8.213(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7913e-01 1.L63 N = 124.095(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6659e-01 1.V64 C = 176.038(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.2587e-01 1.V64 CA = 61.769(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.0097e-01 1.V64 CB = 32.272(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.9805e-01 1.V64 H = 8.093(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6873e-01 1.V64 N = 121.317(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6890e-01 1.E65 CA = 55.873(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.8872e-01 1.E65 CB = 29.419(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3114e-01 1.E65 H = 8.508(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.6288e-01 1.E65 N = 125.169(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.9607e-01 2.M41 N = 133.683(S), Expected = 120.09, Std = 3.5700, ChiSquare = 1.4034e-04 2.K84 H = 10.853(S), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0658e-06 2.L85 H = 5.687(S), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1418e-05 2.A127 N = 135.315(S), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4054e-04