Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.F1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 170.98031 CA :: 56.12551 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) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.39 C 0.13 K 0.02 C Shift Assignments>> C :: 174.42543 CA :: 51.32307 CB :: 22.71218 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.75463 HA :: 4.27973 HB1 :: 1.52407 HB2 :: 1.52407 HB3 :: 1.52407 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.56773 Ave N Shift Values>> N :: 123.23(3.54) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 173.20349 CA :: 56.15115 CB :: 51.56894 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.03811 HA :: 5.56346 HB2 :: 2.72336 HB3 :: 3.12256 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 :: 112.47571 Ave N Shift Values>> N :: 120.17(4.64) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.31 A 0.03 R 0.01 G 0.01 C Shift Assignments>> C :: 174.64982 CA :: 55.10918 CB :: 36.23498 CG :: 23.54142 CD :: 29.58015 CE :: 41.98035 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 :: 10.03114 HA :: 5.63439 HB2 :: 1.80954 HB3 :: 1.91045 HG2 :: 1.21754 HG3 :: 1.46840 HD2 :: 1.59447 HD3 :: 1.59447 HE2 :: 2.77710 HE3 :: 2.77710 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 :: 121.28196 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 T 0.18 C Shift Assignments>> C :: 178.57047 CA :: 59.13661 CB :: 72.32768 CG2 :: 23.47688 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 :: 8.81139 HA :: 6.01580 HB :: 5.00976 HG1 :: 5.35797 HG21 :: 1.43906 HG22 :: 1.43906 HG23 :: 1.43906 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 :: 109.34556 Ave N Shift Values>> N :: 115.42(4.75) 1.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.33 C 0.03 I 0.01 C Shift Assignments>> C :: 178.27520 CA :: 54.56159 CB :: 18.81576 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.68690 HA :: 4.28239 HB1 :: 1.78878 HB2 :: 1.78878 HB3 :: 1.78878 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.42155 Ave N Shift Values>> N :: 123.23(3.54) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.24 C 0.11 C Shift Assignments>> C :: 176.04227 CA :: 52.86767 CB :: 38.69674 CG :: 177.65590 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 :: 8.13335 HA :: 4.97435 HB2 :: 3.00931 HB3 :: 3.14824 HD21 :: 7.09807 HD22 :: 7.83616 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 112.74165 ND2 :: 112.42985 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.64152 CA :: 45.73918 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.09268 HA2 :: 3.68167 HA3 :: 4.37023 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.60178 Ave N Shift Values>> N :: 109.67(3.87) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.95238 CA :: 63.58767 CB :: 69.19353 CG2 :: 22.38978 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 :: 7.78491 HA :: 4.36083 HB :: 4.49024 HG21 :: 1.42969 HG22 :: 1.42969 HG23 :: 1.42969 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 :: 118.24603 Ave N Shift Values>> N :: 115.42(4.75) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 L 0.31 C 0.1 K 0.01 C Shift Assignments>> C :: 177.50044 CA :: 51.58178 CB :: 22.19296 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.72858 HA :: 5.17635 HB1 :: 1.45122 HB2 :: 1.45122 HB3 :: 1.45122 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.04915 Ave N Shift Values>> N :: 123.23(3.54) 1.I11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 I 0.45 C Shift Assignments>> CA :: 59.22195 CB :: 40.35713 CG1 :: 27.28283 CG2 :: 19.11448 CD1 :: 11.81444 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 :: 8.50385 HA :: 4.48640 HB :: 1.53855 HG12 :: 0.41908 HG13 :: 1.11577 HG21 :: 0.38257 HG22 :: 0.38257 HG23 :: 0.38257 HD11 :: -0.47570(S) HD12 :: -0.47570(S) HD13 :: -0.47570(S) 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 :: 120.45677 Ave N Shift Values>> N :: 121.46(4.28) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.71 P 0.28 C Shift Assignments>> C :: 174.15693 CA :: 62.51892 CB :: 34.44342 CG :: 26.02894 CD :: 50.77528 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.79001 HB2 :: 2.17517 HB3 :: 2.17091 HG2 :: 1.77598 HG3 :: 1.91160 HD2 :: 3.44283 HD3 :: 3.52938 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 178.16713 CA :: 63.45615 CB :: 39.68171 CG1 :: 29.09947 CG2 :: 16.09136 CD1 :: 13.98087 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 :: 7.81449 HA :: 4.04374 HB :: 1.53327 HG12 :: 1.30753 HG13 :: 1.68425 HG21 :: 0.91541 HG22 :: 0.91541 HG23 :: 0.91541 HD11 :: 0.96463 HD12 :: 0.96463 HD13 :: 0.96463 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.18815 Ave N Shift Values>> N :: 121.46(4.28) 1.G14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 R 0.24 K 0.12 D 0.1 F 0.07 Y 0.04 C 0.03 G 0.01 I 0.01 C Shift Assignments>> C :: 174.80465 CA :: 42.70936 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12577 HA2 :: 0.97223(S) HA3 :: 3.71751 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.54235 Ave N Shift Values>> N :: 109.67(3.87) 1.G15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 R 0.27 K 0.11 D 0.09 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> C :: 172.21809 CA :: 42.78784 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.65187 HA2 :: 1.20408(S) HA3 :: 3.39424 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.70436 Ave N Shift Values>> N :: 109.67(3.87) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.24744 CA :: 44.58017 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.62067 HA2 :: 3.54792 HA3 :: 4.21375 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.03712 Ave N Shift Values>> N :: 109.67(3.87) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 172.90561 CA :: 56.27084 CB :: 66.63895 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.34866 HA :: 5.56849 HB2 :: 3.51504 HB3 :: 3.55085 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 :: 115.48177 Ave N Shift Values>> N :: 116.28(3.52) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.32 C 0.13 K 0.03 HN Overlap>> 1.A150 1.A150 C Shift Assignments>> C :: 175.08725 CA :: 51.76546 CB :: 22.75620 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.56492 HA :: 4.54485 HB1 :: 1.34723 HB2 :: 1.34723 HB3 :: 1.34723 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.09872 Ave N Shift Values>> N :: 123.23(3.54) 1.N19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.75 D 0.16 C 0.07 C Shift Assignments>> C :: 174.50737 CA :: 51.72489 CB :: 39.76795 CG :: 176.22275 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 :: 8.68544 HA :: 5.86214(S) HB2 :: 2.44010 HB3 :: 2.97096 HD21 :: 6.95054 HD22 :: 7.40604 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.88634 ND2 :: 112.20150 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 173.42498 CA :: 61.38136 CB :: 34.70402 CG1 :: 21.29671 CG2 :: 22.03899 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 :: 9.50726 HA :: 4.41296 HB :: 2.11988 HG11 :: 0.91964 HG12 :: 0.91964 HG13 :: 0.91964 HG21 :: 1.12557 HG22 :: 1.12557 HG23 :: 1.12557 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 :: 124.04339 Ave N Shift Values>> N :: 121.14(4.54) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.29915 CA :: 57.39170 CB :: 38.62952 CD1 :: 133.14179 CD2 :: 133.14179 CE1 :: 117.32499 CE2 :: 117.32499 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.87418 HA :: 5.00724 HB2 :: 2.84387 HB3 :: 3.02563 HD1 :: 6.98496 HD2 :: 6.98496 HE1 :: 6.39698 HE2 :: 6.39698 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 :: 128.41353 Ave N Shift Values>> N :: 120.52(4.2) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.2 A 0.01 C Shift Assignments>> C :: 174.72645 CA :: 58.98654 CB :: 34.28675 CG1 :: 19.14868 CG2 :: 22.11575 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 :: 8.76107 HA :: 4.66860 HB :: 1.98639 HG11 :: 0.72191 HG12 :: 0.72191 HG13 :: 0.72191 HG21 :: 0.73087 HG22 :: 0.73087 HG23 :: 0.73087 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 :: 116.06338 Ave N Shift Values>> N :: 121.14(4.54) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 D 0.18 C 0.12 C Shift Assignments>> C :: 174.53762 CA :: 53.14863 CB :: 38.66042 CG :: 176.95209 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 :: 8.91641 HA :: 4.88327 HB2 :: 2.73802 HB3 :: 2.73802 HD21 :: 7.10610 HD22 :: 7.66236 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 :: 124.10688 ND2 :: 113.94418 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.17 L 0.11 C Shift Assignments>> C :: 176.74529 CA :: 52.78532 CB :: 45.85509 CG :: 26.64470 CD1 :: 25.01734 CD2 :: 27.16188 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 :: 9.09310 HA :: 4.73099 HB2 :: 1.32876 HB3 :: 1.32876 HG :: 1.61390 HD11 :: 0.69650 HD12 :: 0.69650 HD13 :: 0.69650 HD21 :: 0.77757 HD22 :: 0.77757 HD23 :: 0.77757 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 :: 124.44537 Ave N Shift Values>> N :: 121.86(3.9) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> CA :: 50.77661 CB :: 17.95164 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.91002 HA :: 4.38459 HB1 :: 1.36436 HB2 :: 1.36436 HB3 :: 1.36436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.80987 Ave N Shift Values>> N :: 123.23(3.54) 1.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.40372 CA :: 64.31845 CB :: 32.49711 CG :: 27.64532 CD :: 50.63310 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.49386 HB2 :: 2.11088 HB3 :: 2.30958 HG2 :: 2.07445 HG3 :: 2.07445 HD2 :: 3.81021 HD3 :: 3.81021 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 175.24822 CA :: 60.27462 CB :: 35.85797 CG1 :: 21.34347 CG2 :: 21.34347 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 :: 7.34914 HA :: 5.22620 HB :: 1.84536 HG11 :: 0.82577 HG12 :: 0.82577 HG13 :: 0.82577 HG21 :: 0.88264 HG22 :: 0.88264 HG23 :: 0.88264 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.87607 Ave N Shift Values>> N :: 121.14(4.54) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 172.11788 CA :: 60.77371 CB :: 34.65713 CG1 :: 20.86012 CG2 :: 21.92319 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 :: 8.64019 HA :: 4.24436 HB :: 1.89052 HG11 :: 0.92951 HG12 :: 0.92951 HG13 :: 0.92951 HG21 :: 0.94386 HG22 :: 0.94386 HG23 :: 0.94386 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 :: 126.28952 Ave N Shift Values>> N :: 121.14(4.54) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.33 C 0.08 C Shift Assignments>> C :: 175.97456 CA :: 52.79422 CB :: 40.44354 CG :: 176.76145 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 :: 8.12721 HA :: 4.88111 HB2 :: 2.30188 HB3 :: 2.71551 HD21 :: 6.83519 HD22 :: 7.32609 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 :: 121.47405 ND2 :: 111.38385 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 177.76719 CA :: 65.82408 CB :: 31.45834 CG1 :: 21.13734 CG2 :: 22.09852 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 :: 8.63292 HA :: 3.49440 HB :: 1.90401 HG11 :: 0.87056 HG12 :: 0.87056 HG13 :: 0.87056 HG21 :: 0.93263 HG22 :: 0.93263 HG23 :: 0.93263 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 :: 119.45855 Ave N Shift Values>> N :: 121.14(4.54) 1.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.71892 CA :: 45.16330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.80518 HA2 :: 3.61716 HA3 :: 4.27880 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.17880 Ave N Shift Values>> N :: 109.67(3.87) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.35 E 0.15 C Shift Assignments>> C :: 174.65213 CA :: 54.18546 CB :: 30.74970 CG :: 34.12877 CD :: 180.67169 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 :: 8.12648 HA :: 4.60819 HB2 :: 2.24044 HB3 :: 2.24044 HG2 :: 2.37039 HG3 :: 2.37039 HE21 :: 6.92836 HE22 :: 7.67077 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.80749 NE2 :: 113.12750 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.18 C 0.12 C Shift Assignments>> C :: 174.91400 CA :: 52.63660 CB :: 40.41052 CG :: 175.49533 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 :: 8.53411 HA :: 5.38418 HB2 :: 2.27845 HB3 :: 2.70416 HD21 :: 6.89277 HD22 :: 7.46486 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 :: 116.73434 ND2 :: 111.79283 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.21 R 0.19 G 0.13 C Shift Assignments>> C :: 174.29170 CA :: 54.24483 CB :: 43.62713 CG :: 27.37203 CD1 :: 26.69673 CD2 :: 24.91970 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 :: 9.84946 HA :: 4.50569 HB2 :: 1.37666 HB3 :: 1.88112 HG :: 1.22692 HD11 :: 0.47231 HD12 :: 0.47231 HD13 :: 0.47231 HD21 :: 0.93862 HD22 :: 0.93862 HD23 :: 0.93862 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 :: 126.36022 Ave N Shift Values>> N :: 121.86(3.9) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.26173 CA :: 61.22412 CB :: 32.82367 CG1 :: 20.07732 CG2 :: 21.39144 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 :: 8.63623 HA :: 4.44185 HB :: 1.79429 HG11 :: 0.41892 HG12 :: 0.41892 HG13 :: 0.41892 HG21 :: 0.59649 HG22 :: 0.59649 HG23 :: 0.59649 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 :: 127.39846 Ave N Shift Values>> N :: 121.14(4.54) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> C :: 174.29667 CA :: 60.23853 CB :: 31.48616 CG1 :: 19.27826 CG2 :: 21.06983 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 :: 8.94570 HA :: 4.06965 HB :: 1.93807 HG11 :: 0.47304 HG12 :: 0.47304 HG13 :: 0.47304 HG21 :: 0.63528 HG22 :: 0.63528 HG23 :: 0.63528 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 :: 129.13072 Ave N Shift Values>> N :: 121.14(4.54) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 D 0.31 L 0.12 F 0.08 Y 0.07 C 0.06 C Shift Assignments>> C :: 176.42930 CA :: 53.36653 CB :: 40.00254 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 :: 8.99843 HA :: 4.73730 HB2 :: 2.26743 HB3 :: 3.00306 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 :: 126.53961 Ave N Shift Values>> N :: 120.65(3.86) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.38 A 0.02 HN Overlap>> 1.V94 1.V94 C Shift Assignments>> C :: 177.81977 CA :: 54.96530 CB :: 39.61700 CG :: 27.39480 CD1 :: 23.72038 CD2 :: 25.10199 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 :: 8.50598 HA :: 4.26189 HB2 :: 1.66205 HB3 :: 1.80600 HG :: 1.56692 HD11 :: 0.67713 HD12 :: 0.67713 HD13 :: 0.67713 HD21 :: 0.69193 HD22 :: 0.69193 HD23 :: 0.69193 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 :: 125.20072 Ave N Shift Values>> N :: 121.86(3.9) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.09422 CA :: 61.12753 CB :: 63.33719 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.72825 HA :: 4.50817 HB2 :: 3.88356 HB3 :: 3.88356 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 :: 120.21570 Ave N Shift Values>> N :: 116.28(3.52) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.70839 CA :: 61.14093 CB :: 69.09566 CG2 :: 22.11459 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 :: 6.66799 HA :: 4.41718 HB :: 4.54062 HG21 :: 1.20997 HG22 :: 1.20997 HG23 :: 1.20997 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 :: 105.55636 Ave N Shift Values>> N :: 115.42(4.75) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 Q 0.14 E 0.03 HN Overlap>> 1.S80 1.S80 C Shift Assignments>> C :: 173.94512 CA :: 55.87600 CB :: 32.89477 CD :: 178.27272 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 :: 7.59618 HA :: 4.65072 HB2 :: 1.73588 HB3 :: 2.34838 HG2 :: 2.46725 HG3 :: 2.47521 HE21 :: 6.80855 HE22 :: 7.49491 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.06261 NE2 :: 111.86584 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 172.47765 CA :: 61.42285 CB :: 40.74202 CG1 :: 27.16100 CG2 :: 17.22009 CD1 :: 14.08411 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 :: 7.21052 HA :: 4.00859 HB :: 1.36255 HG12 :: 1.21040 HG13 :: 1.21040 HG21 :: -0.15862(S) HG22 :: -0.15862(S) HG23 :: -0.15862(S) HD11 :: 0.10818 HD12 :: 0.10818 HD13 :: 0.10818 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.89696 Ave N Shift Values>> N :: 121.46(4.28) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 Y 0.18 C 0.13 G 0.1 C Shift Assignments>> C :: 175.27252 CA :: 55.38029 CB :: 43.20859 CD1 :: 131.26897 CD2 :: 131.26897 CE1 :: 130.93288 CE2 :: 130.93288 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 :: 8.57161 HA :: 5.04509 HB2 :: 2.64464 HB3 :: 2.64464 HD1 :: 6.74954 HD2 :: 6.74954 HE1 :: 7.06201 HE2 :: 7.06201 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.31628 Ave N Shift Values>> N :: 120.45(4.18) 1.C44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 G 0.04 L 0.02 C Shift Assignments>> C :: 172.77296 CA :: 55.93683 CB :: 49.96361 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.20481 HA :: 5.27267 HB2 :: 1.80453 HB3 :: 2.05034 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 :: 117.71558 Ave N Shift Values>> N :: 120.17(4.64) 1.H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.32 H 0.3 C Shift Assignments>> C :: 169.93674 CA :: 55.40612 CB :: 31.67463 CD2 :: 119.92782 CE1 :: 134.87996 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.41548 HA :: 5.55369 HB2 :: 2.94621 HB3 :: 3.08834 HD2 :: 6.42342 HE1 :: 8.41425 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 :: 112.26699 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.24 L 0.17 C 0.05 F 0.04 K 0.04 Y 0.03 C Shift Assignments>> C :: 176.03501 CA :: 51.82654 CB :: 41.12188 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 :: 7.85675 HA :: 4.84888 HB2 :: 2.51898 HB3 :: 2.51898 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.33560 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 E 0.09 F 0.09 C 0.09 Y 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 HN Overlap>> 1.Y108 1.Y108 C Shift Assignments>> C :: 176.06214 CA :: 57.57807 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 :: 8.85266 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 :: 123.13964 Ave N Shift Values>> N :: 120.65(3.86) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 E 0.1 F 0.08 K 0.08 C 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 S 0.05 M 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> CA :: 57.48218 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 :: 9.47280 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.76985 Ave N Shift Values>> N :: 120.52(4.2) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.24 C Shift Assignments>> C :: 177.35918 CA :: 64.12586 CB :: 31.73283 CG :: 26.50539 CD :: 48.97291 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.10759 HB2 :: 2.04837 HB3 :: 2.32838 HG2 :: 1.98620 HD2 :: 3.31925 HD3 :: 3.40264 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 I 0.33 E 0.24 K 0.03 C Shift Assignments>> C :: 177.41681 CA :: 59.62246 CB :: 28.42871 CG :: 36.83124 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 :: 9.16925 HA :: 4.03483 HB2 :: 1.95326 HB3 :: 1.99799 HG2 :: 2.25663 HG3 :: 2.47389 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 :: 119.74414 Ave N Shift Values>> N :: 120.67(3.48) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.82 C 0.17 C Shift Assignments>> C :: 173.43598 CA :: 62.81543 CB :: 71.56947 CG2 :: 22.71810 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 :: 7.28538 HA :: 4.45551 HB :: 3.83431 HG21 :: 1.13081 HG22 :: 1.13081 HG23 :: 1.13081 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.80485 Ave N Shift Values>> N :: 115.42(4.75) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.46739 CA :: 61.87208 CB :: 41.04871 CG1 :: 27.39045 CG2 :: 18.74699 CD1 :: 14.68607 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 :: 8.30332 HA :: 4.23987 HB :: 1.60822 HG12 :: 1.36860 HG13 :: 0.37578 HG21 :: 0.91086 HG22 :: 0.91086 HG23 :: 0.91086 HD11 :: 0.22763 HD12 :: 0.22763 HD13 :: 0.22763 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 :: 122.96930 Ave N Shift Values>> N :: 121.46(4.28) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.71 C 0.28 HN Overlap>> 1.V145 1.V145 1.S78 1.S78 C Shift Assignments>> C :: 170.64219 CA :: 63.39241 CB :: 69.87475 CG2 :: 23.68872 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 :: 8.78577 HA :: 3.82257 HB :: 3.44445 HG21 :: 0.91287 HG22 :: 0.91287 HG23 :: 0.91287 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 :: 125.04156 Ave N Shift Values>> N :: 115.42(4.75) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 R 0.24 G 0.16 D 0.11 C 0.04 F 0.03 Y 0.01 K 0.01 C Shift Assignments>> C :: 174.35942 CA :: 54.17561 CB :: 43.85489 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 :: 6.80626 HA :: 5.28795 HB2 :: 2.10289 HB3 :: 2.85518 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.41776 Ave N Shift Values>> N :: 120.65(3.86) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 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 :: 175.94667 CA :: 55.18738 CB :: 40.20577 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.65518 HA :: 5.25614 HB2 :: 3.08542 HB3 :: 2.54776 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 :: 121.24344 Ave N Shift Values>> N :: 120.52(4.2) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.08 C Shift Assignments>> C :: 177.43801 CA :: 61.09001 CB :: 35.97435 CG1 :: 24.56624 CG2 :: 22.30387 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 :: 9.27213 HA :: 5.43179 HB :: 2.22328 HG11 :: 0.48751 HG12 :: 0.48751 HG13 :: 0.48751 HG21 :: 1.01977 HG22 :: 1.01977 HG23 :: 1.01977 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 :: 121.79746 Ave N Shift Values>> N :: 121.14(4.54) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 T 0.25 C Shift Assignments>> C :: 173.90655 CA :: 59.71092 CB :: 71.14460 CG2 :: 23.84853 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 :: 9.66870 HA :: 4.65354 HB :: 4.07777 HG21 :: 1.00920 HG22 :: 1.00920 HG23 :: 1.00920 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 :: 123.62726 Ave N Shift Values>> N :: 115.42(4.75) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.45 R 0.03 K 0.01 C Shift Assignments>> C :: 175.24290 CA :: 54.58415 CB :: 40.82112 CG :: 27.83986 CD1 :: 27.07091 CD2 :: 25.70570 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 :: 7.42843 HA :: 5.19369 HB2 :: 0.62122 HB3 :: 1.53099 HG :: 1.31121 HD11 :: 0.65027 HD12 :: 0.65027 HD13 :: 0.65027 HD21 :: 1.04166 HD22 :: 1.04166 HD23 :: 1.04166 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 :: 120.10097 Ave N Shift Values>> N :: 121.86(3.9) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 Q 0.29 E 0.01 C Shift Assignments>> C :: 175.24553 CA :: 58.62935 CB :: 29.83339 CG :: 33.69275 CD :: 177.51510 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 :: 9.20526 HA :: 4.00540 HB2 :: 1.89759 HB3 :: 1.90337 HG2 :: 2.13885 HG3 :: 2.22447 HE21 :: 6.60800 HE22 :: 7.22023 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 :: 130.76971 NE2 :: 108.32512 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.33 G 0.11 K 0.08 C Shift Assignments>> C :: 173.66832 CA :: 55.75261 CB :: 33.79214 CG :: 27.27997 CD :: 43.53404 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.12508 HA :: 4.33722 HB2 :: 1.61785 HB3 :: 1.74985 HG2 :: 1.44953 HG3 :: 1.54160 HD2 :: 3.07901 HD3 :: 3.07901 HE :: 7.08579 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 :: 112.71601 NE :: 84.14735 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.G61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 171.76798 CA :: 45.93451 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.34022 HA2 :: 3.53761 HA3 :: 5.55855(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.58074 Ave N Shift Values>> N :: 109.67(3.87) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 171.43147 CA :: 57.80990 CB :: 65.81958 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.17407 HA :: 4.57373 HB2 :: 3.62174 HB3 :: 3.73987 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 :: 122.24810 Ave N Shift Values>> N :: 116.28(3.52) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 L 0.32 C 0.13 K 0.01 HN Overlap>> 1.V105 1.V105 C Shift Assignments>> C :: 174.00314 CA :: 50.68497 CB :: 22.53212 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.12963 HA :: 4.87582 HB1 :: 1.12941 HB2 :: 1.12941 HB3 :: 1.12941 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.60966 Ave N Shift Values>> N :: 123.23(3.54) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.22 R 0.21 C 0.09 F 0.06 Y 0.03 D 0.02 HN Overlap>> 1.S88 1.S88 C Shift Assignments>> C :: 176.03324 CA :: 57.61219 CB :: 44.45468 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 :: 7.64504 HA :: 4.55579 HB2 :: 2.00144 HB3 :: 3.02023 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 :: 116.07503 Ave N Shift Values>> N :: 120.52(4.2) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 176.87421 CA :: 47.17831 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.95080 HA2 :: 3.88314 HA3 :: 4.17807 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.32803 Ave N Shift Values>> N :: 109.67(3.87) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 177.00441 CA :: 46.77722 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.65519 HA2 :: 4.15823 HA3 :: 4.56976 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.43133 Ave N Shift Values>> N :: 109.67(3.87) 1.V67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.17 C Shift Assignments>> C :: 176.39425 CA :: 66.66073 CB :: 31.15572 CG1 :: 25.75742 CG2 :: 22.68664 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 :: 7.68965 HA :: 3.97580 HB :: 2.68490 HG11 :: 0.78644 HG12 :: 0.78644 HG13 :: 0.78644 HG21 :: 1.01041 HG22 :: 1.01041 HG23 :: 1.01041 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 :: 119.65647 Ave N Shift Values>> N :: 121.14(4.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.38 R 0.01 A 0.01 C Shift Assignments>> C :: 178.76740 CA :: 56.69844 CB :: 41.50109 CG :: 26.77742 CD1 :: 23.03750 CD2 :: 25.25097 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 :: 6.58147 HA :: 4.06181 HB2 :: 0.93804 HB3 :: 1.81866 HG :: 1.38420 HD11 :: 0.81405 HD12 :: 0.81405 HD13 :: 0.81405 HD21 :: 0.84145 HD22 :: 0.84145 HD23 :: 0.84145 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.51722 Ave N Shift Values>> N :: 121.86(3.9) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.15972 CA :: 61.08180 CB :: 64.16077 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.89253 HA :: 4.34467 HB2 :: 3.82724 HB3 :: 3.82724 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 :: 109.09957 Ave N Shift Values>> N :: 116.28(3.52) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.52 N 0.33 C 0.13 C Shift Assignments>> C :: 174.21870 CA :: 54.28450 CB :: 41.53991 CG :: 176.91623 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 :: 8.11627 HA :: 5.05170 HB2 :: 2.57892 HB3 :: 3.08891 HD21 :: 7.35619 HD22 :: 7.91260 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 :: 114.16625 ND2 :: 116.56337 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.23 K 0.1 F 0.1 C 0.06 Y 0.06 D 0.05 G 0.03 C Shift Assignments>> C :: 174.66968 CA :: 57.18197 CB :: 43.15339 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 :: 7.86378 HA :: 5.40595 HB2 :: 2.95487 HB3 :: 3.30028 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 :: 116.83966 Ave N Shift Values>> N :: 120.45(4.18) 1.S72 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 :: 174.71954 CA :: 56.99572 CB :: 65.44283 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.20758 HA :: 5.05591 HB2 :: 3.81570 HB3 :: 3.99333 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 :: 115.17998 Ave N Shift Values>> N :: 116.28(3.52) 1.G73 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 :: 172.35040 CA :: 46.64920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.94351 HA2 :: 4.59694 HA3 :: 5.08687 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.49135 Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 T 0.26 C Shift Assignments>> C :: 172.69262 CA :: 60.64291 CB :: 73.73515 CG2 :: 22.45360 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 :: 8.70232 HA :: 4.95482 HB :: 4.13239 HG21 :: 1.15289 HG22 :: 1.15289 HG23 :: 1.15289 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 :: 111.84075 Ave N Shift Values>> N :: 115.42(4.75) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.16 A 0.02 C Shift Assignments>> C :: 172.75939 CA :: 58.16053 CB :: 35.06834 CG1 :: 23.21389 CG2 :: 20.13411 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 :: 9.59412 HA :: 5.15538 HB :: 1.69950 HG11 :: 0.72907 HG12 :: 0.72907 HG13 :: 0.72907 HG21 :: 1.02704 HG22 :: 1.02704 HG23 :: 1.02704 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 :: 119.60045 Ave N Shift Values>> N :: 121.14(4.54) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.33 R 0.13 C Shift Assignments>> C :: 175.84449 CA :: 54.43466 CB :: 34.36009 CG :: 25.49750 CD :: 29.46326 CE :: 41.74344 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 :: 9.49590 HA :: 5.30575 HB2 :: 1.67769 HB3 :: 1.67769 HG2 :: 1.04465 HG3 :: 1.04465 HD2 :: 1.32041 HD3 :: 1.38266 HE2 :: 2.32594 HE3 :: 2.49795 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 :: 128.18672 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 D 0.19 K 0.18 F 0.14 Y 0.11 C 0.06 N 0.03 R 0.03 I 0.01 C Shift Assignments>> C :: 176.31039 CA :: 55.95835 CB :: 41.37114 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 :: 9.35741 HA :: 5.50290 HB2 :: 2.53848 HB3 :: 3.25023 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 :: 125.23943 Ave N Shift Values>> N :: 120.52(4.2) 1.S78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V145 1.T53 1.V145 1.T53 C Shift Assignments>> C :: 175.46113 CA :: 58.01070 CB :: 62.71610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.89724 HA :: 3.73549 HB2 :: 2.78856(S) HB3 :: 4.12153 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 :: 125.04715 Ave N Shift Values>> N :: 116.28(3.52) 1.G79 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 C Shift Assignments>> C :: 174.27049 CA :: 45.51270 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.73297 HA2 :: 3.60991 HA3 :: 4.29486 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.01342 Ave N Shift Values>> N :: 109.67(3.87) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 Y 0.11 F 0.11 S 0.1 W 0.09 E 0.07 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 I 0.02 L 0.02 V 0.01 T 0.01 HN Overlap>> 1.Q41 1.Q41 C Shift Assignments>> C :: 171.57914 CA :: 58.27576 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.52559 HA :: 4.77566 HB2 :: 3.70134 HB3 :: 3.85549 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 :: 117.05046 Ave N Shift Values>> N :: 116.28(3.52) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.76712 CA :: 58.46661 CB :: 64.71482 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.31850 HA :: 5.10619 HB2 :: 3.46484 HB3 :: 3.46484 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 :: 117.87925 Ave N Shift Values>> N :: 116.28(3.52) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.2 Y 0.18 L 0.14 N 0.1 C 0.1 I 0.02 K 0.01 C Shift Assignments>> CA :: 55.83507 CB :: 40.02814 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 :: 9.22653 HA :: 4.90459 HB2 :: 2.57503 HB3 :: 3.32899 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 :: 123.65334 Ave N Shift Values>> N :: 120.52(4.2) 1.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 173.71387 CA :: 64.13438 CB :: 32.40469 CG :: 27.96596 CD :: 50.33417 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.46722 HB2 :: 1.97112 HB3 :: 2.43641 HG2 :: 2.00729 HG3 :: 2.24054 HD2 :: 3.94908 HD3 :: 3.94908 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.29 D 0.12 K 0.05 F 0.05 G 0.05 C 0.04 Y 0.03 C Shift Assignments>> CA :: 55.12707 CB :: 43.33405 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 :: 7.51635 HA :: 4.48362 HB2 :: 2.44682 HB3 :: 2.75725 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 :: 119.22537 Ave N Shift Values>> N :: 120.45(4.18) 1.P85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.79 P 0.2 C Shift Assignments>> C :: 175.93478 CA :: 62.79723 CB :: 34.93688 CG :: 26.12446 CD :: 50.09268 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.18867(S) HB2 :: 1.91853 HB3 :: 2.10210 HG2 :: 1.33013 HG3 :: 1.82698 HD2 :: 3.12073 HD3 :: 3.42015 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.34588 CA :: 62.04968 CB :: 70.79750 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 :: 8.35573 HA :: 4.69288 HB :: 4.48675 HG1 :: 6.54801 HG21 :: 1.45544 HG22 :: 1.45544 HG23 :: 1.45544 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 :: 113.36904 Ave N Shift Values>> N :: 115.42(4.75) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.44017 CA :: 61.04883 CB :: 69.64453 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 :: 8.80123 HA :: 4.52590 HB :: 4.50305 HG21 :: 1.14997 HG22 :: 1.14997 HG23 :: 1.14997 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.09119 Ave N Shift Values>> N :: 115.42(4.75) 1.S88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y64 1.Y64 C Shift Assignments>> C :: 172.43998 CA :: 57.70540 CB :: 64.97573 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.69647 HA :: 4.58017 HB2 :: 3.85491 HB3 :: 3.94888 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 :: 116.15681 Ave N Shift Values>> N :: 116.28(3.52) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 M 0.19 Q 0.06 K 0.03 C Shift Assignments>> C :: 176.81820 CA :: 56.07402 CB :: 30.95975 CG :: 36.01684 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 :: 8.41722 HA :: 4.57468 HB2 :: 1.99999 HB3 :: 1.99999 HG2 :: 2.17253 HG3 :: 2.90300 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 :: 124.42416 Ave N Shift Values>> N :: 120.67(3.48) 1.T90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.83392 CB :: 69.23893 CG2 :: 20.24414 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 :: 7.57573 HA :: 4.22809 HB :: 4.28115 HG21 :: 0.68142 HG22 :: 0.68142 HG23 :: 0.68142 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 :: 116.76011 Ave N Shift Values>> N :: 115.42(4.75) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 176.05174 CA :: 62.83705 CB :: 32.69329 CG :: 28.42802 CD :: 51.64747 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.60786 HB2 :: 1.94170 HB3 :: 2.57979 HG2 :: 2.05686 HG3 :: 2.20143 HD2 :: 3.66432 HD3 :: 3.77837 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.39 G 0.1 K 0.09 C Shift Assignments>> C :: 176.98443 CA :: 55.74535 CB :: 32.28355 CG :: 26.27717 CD :: 43.60469 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 :: 8.24087 HA :: 4.62196 HB2 :: 1.61324 HB3 :: 1.64558 HG2 :: 1.55500 HG3 :: 1.55500 HD2 :: 2.60783 HD3 :: 2.61090 HE :: 7.03034 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.46202 NE :: 83.49528 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.V93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 175.55079 CA :: 61.36282 CB :: 35.00473 CG1 :: 21.69175 CG2 :: 22.68550 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 :: 9.25613 HA :: 4.42649 HB :: 2.23899 HG11 :: 0.95106 HG12 :: 0.95106 HG13 :: 0.95106 HG21 :: 0.95106 HG22 :: 0.95106 HG23 :: 0.95106 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 :: 121.09079 Ave N Shift Values>> N :: 121.14(4.54) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 HN Overlap>> 1.L38 1.L38 C Shift Assignments>> C :: 176.35337 CA :: 62.28696 CB :: 33.33585 CG1 :: 21.74176 CG2 :: 21.74176 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 :: 8.50240 HA :: 4.83485 HB :: 1.93261 HG11 :: 0.91470 HG12 :: 0.91470 HG13 :: 0.91470 HG21 :: 1.09621 HG22 :: 1.09621 HG23 :: 1.09621 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.16738 Ave N Shift Values>> N :: 121.14(4.54) 1.Y95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.26 C 0.12 I 0.09 L 0.08 D 0.06 K 0.04 C Shift Assignments>> CA :: 58.19296 CB :: 40.39137 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 :: 9.06828 HA :: 4.89299 HB2 :: 2.86075 HB3 :: 3.08643 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 :: 126.03056 Ave N Shift Values>> N :: 120.52(4.2) 1.N96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.18 C 0.1 C Shift Assignments>> C :: 172.97506 CA :: 52.73731 CB :: 38.68857 CG :: 177.11306 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 :: 9.17317 HA :: 5.04592 HB2 :: 2.46664 HB3 :: 3.40869 HD21 :: 6.87621 HD22 :: 7.62693 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 :: 124.31649 ND2 :: 110.29300 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> C :: 174.51892 CA :: 56.53023 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.35710 HA :: 4.88317 HB2 :: 3.77931 HB3 :: 4.06235 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 :: 109.29069 Ave N Shift Values>> N :: 116.28(3.52) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.33 K 0.16 G 0.06 C Shift Assignments>> C :: 176.22695 CA :: 57.96719 CB :: 30.86778 CG :: 28.80419 CD :: 43.32653 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 :: 9.48226 HA :: 4.88173 HB2 :: 1.70037 HB3 :: 1.80545 HG2 :: 1.59906 HG3 :: 1.82442 HD2 :: 3.13485 HD3 :: 3.13485 HE :: 7.07752 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 :: 129.04154 NE :: 84.92109 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.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.91120 CA :: 62.85576 CB :: 69.29320 CG2 :: 21.30018 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 :: 8.35128 HA :: 3.96871 HB :: 4.00215 HG21 :: 1.26355 HG22 :: 1.26355 HG23 :: 1.26355 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 :: 116.88092 Ave N Shift Values>> N :: 115.42(4.75) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.19 D 0.18 F 0.15 Y 0.11 C 0.06 R 0.03 N 0.02 I 0.01 C Shift Assignments>> C :: 175.72325 CA :: 56.18580 CB :: 41.37729 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 :: 8.49825 HA :: 4.65757 HB2 :: 2.30163 HB3 :: 2.40661 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 :: 126.10279 Ave N Shift Values>> N :: 120.65(3.86) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.34 R 0.1 G 0.02 C Shift Assignments>> CA :: 52.89267 CB :: 35.16928 CG :: 24.78198 CD :: 29.39188 CE :: 42.20168 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 :: 9.38302 HA :: 5.23393 HB2 :: 1.96787 HB3 :: 2.12251 HG2 :: 1.57866 HG3 :: 1.64015 HD2 :: 1.63233 HD3 :: 1.70602 HE2 :: 2.67020 HE3 :: 2.70988 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 :: 124.43145 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.51 C 0.48 C Shift Assignments>> C :: 177.32187 CA :: 62.85267 CB :: 33.27370 CG :: 27.93162 CD :: 51.69412 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.58308 HB2 :: 1.56912 HB3 :: 2.93522 HG2 :: 2.14400 HG3 :: 2.14400 HD2 :: 3.78299 HD3 :: 4.14953 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.W103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.66 C 0.33 C Shift Assignments>> CA :: 52.86648 CB :: 28.31813 CD1 :: 124.63687 CZ2 :: 113.27470 CZ3 :: 121.25490 CH2 :: 124.12648 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 :: 8.35689 HA :: 5.42407 HB2 :: 2.50807 HB3 :: 3.11780 HD1 :: 7.54252 HE1 :: 9.04995 HZ2 :: 7.31153 HZ3 :: 6.63928 HH2 :: 6.98240 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 :: 128.33625 NE1 :: 127.96718 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.64 P 0.35 C Shift Assignments>> C :: 173.10682 CA :: 62.91880 CB :: 28.93201 CG :: 27.53585 CD :: 50.37044 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.37433 HB2 :: 1.72854 HB3 :: 2.07068 HD2 :: 3.56262 HD3 :: 4.10270 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 V 0.44 HN Overlap>> 1.A63 1.A63 C Shift Assignments>> C :: 173.58840 CA :: 60.22370 CB :: 35.18390 CG1 :: 21.05789 CG2 :: 21.46227 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 :: 8.12252 HA :: 4.82610 HB :: 0.93692 HG11 :: -0.50852(S) HG12 :: -0.50852(S) HG13 :: -0.50852(S) HG21 :: 0.26153 HG22 :: 0.26153 HG23 :: 0.26153 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.63987 Ave N Shift Values>> N :: 121.14(4.54) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.36 C 0.15 K 0.03 C Shift Assignments>> C :: 175.22431 CA :: 50.95521 CB :: 22.88564 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.37635 HA :: 5.14135 HB1 :: 1.25448 HB2 :: 1.25448 HB3 :: 1.25448 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.79106 Ave N Shift Values>> N :: 123.23(3.54) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 A 0.3 C 0.18 G 0.04 C Shift Assignments>> C :: 174.63137 CA :: 53.12053 CB :: 42.59357 CG :: 26.54195 CD1 :: 21.87378 CD2 :: 23.77387 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 :: 8.66879 HA :: 4.79697 HB2 :: 0.79595 HB3 :: 1.37306 HG :: 1.21370 HD11 :: -0.14451 HD12 :: -0.14451 HD13 :: -0.14451 HD21 :: 0.24834 HD22 :: 0.24834 HD23 :: 0.24834 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 :: 119.95162 Ave N Shift Values>> N :: 121.86(3.9) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.16 I 0.1 D 0.05 L 0.04 N 0.02 E 0.01 HN Overlap>> 1.D47 1.D47 1.F142 1.F142 C Shift Assignments>> C :: 175.10265 CA :: 57.77307 CB :: 39.04584 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.96517 HA :: 4.60775 HB2 :: 2.48744 HB3 :: 2.99249 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 :: 123.12805 Ave N Shift Values>> N :: 120.52(4.2) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.32 C 0.1 A 0.05 C Shift Assignments>> C :: 175.58778 CA :: 52.95435 CB :: 44.97059 CG :: 26.36994 CD1 :: 25.70565 CD2 :: 23.15670 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 :: 9.02378 HA :: 5.40942 HB2 :: 1.26590 HB3 :: 1.77921 HG :: 1.36986 HD11 :: 0.37777 HD12 :: 0.37777 HD13 :: 0.37777 HD21 :: 0.72742 HD22 :: 0.72742 HD23 :: 0.72742 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 :: 124.81552 Ave N Shift Values>> N :: 121.86(3.9) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 A 0.29 T 0.1 C Shift Assignments>> CA :: 58.15486 CB :: 72.46215 CG2 :: 19.01834 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 :: 9.65148 HA :: 5.78084 HB :: 4.18502 HG21 :: 1.23580 HG22 :: 1.23580 HG23 :: 1.23580 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 :: 120.21152 Ave N Shift Values>> N :: 115.42(4.75) 1.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.67 P 0.3 S 0.01 C Shift Assignments>> C :: 177.83607 CA :: 62.89248 CB :: 32.14716 CG :: 28.18596 CD :: 52.61710 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.18043 HB2 :: 1.64747 HB3 :: 1.68695 HG2 :: 1.60537 HG3 :: 1.60537 HD2 :: 4.09647 HD3 :: 4.09647 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.35 C Shift Assignments>> C :: 177.05134 CA :: 61.36641 CB :: 32.21199 CG1 :: 18.74211 CG2 :: 21.62946 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 :: 8.10258 HA :: 4.34920 HB :: 2.35131 HG11 :: 0.81185 HG12 :: 0.81185 HG13 :: 0.81185 HG21 :: 0.86101 HG22 :: 0.86101 HG23 :: 0.86101 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 :: 118.10399 Ave N Shift Values>> N :: 121.14(4.54) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.55798 CA :: 60.50043 CB :: 63.39622 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33000 HA :: 4.16126 HB2 :: 3.90150 HB3 :: 3.90150 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.68435 Ave N Shift Values>> N :: 116.28(3.52) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.29053 CA :: 57.80508 CB :: 63.56370 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.72629 HA :: 4.38939 HB2 :: 3.92229 HB3 :: 3.92229 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 :: 112.58821 Ave N Shift Values>> N :: 116.28(3.52) 1.A115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.05 C 0.02 L 0.02 C Shift Assignments>> C :: 176.91614 CA :: 52.54343 CB :: 20.07917 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.74998 HA :: 4.24466 HB1 :: 1.33176 HB2 :: 1.33176 HB3 :: 1.33176 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.83812 Ave N Shift Values>> N :: 123.23(3.54) 1.G116 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 :: 173.58202 CA :: 46.20958 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.12791 HA2 :: 3.83793 HA3 :: 3.98942 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.37059 Ave N Shift Values>> N :: 109.67(3.87) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent 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>> C :: 174.00525 CA :: 44.72637 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.66057 HA2 :: 3.75998 HA3 :: 4.21243 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.60876 Ave N Shift Values>> N :: 109.67(3.87) 1.V118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 175.33511 CA :: 64.46901 CB :: 30.62966 CG1 :: 21.72498 CG2 :: 21.59214 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 :: 8.63724 HA :: 3.96249 HB :: 2.01690 HG11 :: 0.81140 HG12 :: 0.81140 HG13 :: 0.81140 HG21 :: 0.98068 HG22 :: 0.98068 HG23 :: 0.98068 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 :: 122.39106 Ave N Shift Values>> N :: 121.14(4.54) 1.A119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.22 C 0.08 M 0.01 C Shift Assignments>> C :: 177.43338 CA :: 52.64406 CB :: 21.52579 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.11223 HA :: 4.46097 HB1 :: 1.38744 HB2 :: 1.38744 HB3 :: 1.38744 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 134.63288 Ave N Shift Values>> N :: 123.23(3.54) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.42 G 0.04 C Shift Assignments>> C :: 174.14444 CA :: 60.94371 CB :: 42.67156 CG1 :: 28.16203 CG2 :: 18.12905 CD1 :: 14.44156 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 :: 7.63734 HA :: 4.20130 HB :: 1.51870 HG12 :: 0.77673 HG13 :: 1.56364 HG21 :: 0.70020 HG22 :: 0.70020 HG23 :: 0.70020 HD11 :: 0.26172 HD12 :: 0.26172 HD13 :: 0.26172 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 :: 115.64396 Ave N Shift Values>> N :: 121.46(4.28) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.32 R 0.11 G 0.01 C Shift Assignments>> C :: 177.29883 CA :: 54.52515 CB :: 33.99679 CG :: 25.08816 CD :: 29.16044 CE :: 42.13783 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 :: 8.42109 HA :: 4.63432 HB2 :: 1.62751 HB3 :: 1.79675 HG2 :: 1.47296 HG3 :: 1.52900 HD2 :: 1.72038 HD3 :: 1.72038 HE2 :: 3.03955 HE3 :: 3.03955 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 :: 125.54326 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.32 C 0.02 I 0.01 C Shift Assignments>> C :: 177.93507 CA :: 54.23991 CB :: 18.65710 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.83878 HA :: 3.41510 HB1 :: 1.32949 HB2 :: 1.32949 HB3 :: 1.32949 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.85863 Ave N Shift Values>> N :: 123.23(3.54) 1.G123 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 C Shift Assignments>> C :: 174.11839 CA :: 45.57801 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.07479 HA2 :: 3.91890 HA3 :: 4.37957 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.61841 Ave N Shift Values>> N :: 109.67(3.87) 1.S124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.90113 CA :: 58.02495 CB :: 65.41321 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.07738 HA :: 4.60433 HB2 :: 4.04484 HB3 :: 4.04484 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.85956 Ave N Shift Values>> N :: 116.28(3.52) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.26 R 0.08 A 0.07 G 0.01 C Shift Assignments>> C :: 177.51353 CA :: 55.26564 CB :: 42.33344 CG :: 26.66460 CD1 :: 25.99291 CD2 :: 22.23800 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 :: 8.24374 HA :: 3.54989 HB2 :: 0.93072 HB3 :: 1.48706 HG :: 0.73276 HD11 :: -0.00390 HD12 :: -0.00390 HD13 :: -0.00390 HD21 :: 0.08020 HD22 :: 0.08020 HD23 :: 0.08020 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 :: 123.79809 Ave N Shift Values>> N :: 121.86(3.9) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.63928 CA :: 60.93462 CB :: 40.10336 CG1 :: 25.78623 CG2 :: 19.14868 CD1 :: 13.92725 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 :: 9.08736 HA :: 4.89135 HB :: 1.95438 HG12 :: 0.86710 HG13 :: 1.20011 HG21 :: 0.92405 HG22 :: 0.92405 HG23 :: 0.92405 HD11 :: 0.55883 HD12 :: 0.55883 HD13 :: 0.55883 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.57559 Ave N Shift Values>> N :: 121.46(4.28) 1.A127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 L 0.14 C 0.06 C Shift Assignments>> C :: 174.76152 CA :: 52.01952 CB :: 21.36453 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.72680 HA :: 5.63637 HB1 :: 1.35715 HB2 :: 1.35715 HB3 :: 1.35715 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.08722 Ave N Shift Values>> N :: 123.23(3.54) 1.V128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.38 C Shift Assignments>> C :: 176.07894 CA :: 62.46813 CB :: 35.29170 CG1 :: 21.01807 CG2 :: 22.18856 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 :: 8.55932 HA :: 5.09489 HB :: 1.99523 HG11 :: 0.85781 HG12 :: 0.85781 HG13 :: 0.85781 HG21 :: 0.94891 HG22 :: 0.94891 HG23 :: 0.94891 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 :: 119.05044 Ave N Shift Values>> N :: 121.14(4.54) 1.L129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.2 C 0.19 R 0.08 C Shift Assignments>> C :: 174.47274 CA :: 53.40581 CB :: 44.75558 CG :: 28.12500 CD1 :: 26.97196 CD2 :: 24.65971 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 :: 9.40559 HA :: 5.46469 HB2 :: 1.90120 HB3 :: 2.28479 HG :: 1.88019 HD11 :: 0.89995 HD12 :: 0.89995 HD13 :: 0.89995 HD21 :: 1.03953 HD22 :: 1.03953 HD23 :: 1.03953 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 :: 128.43886 Ave N Shift Values>> N :: 121.86(3.9) 1.I130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 173.97550 CA :: 61.63243 CB :: 38.96884 CG1 :: 27.61708 CG2 :: 17.39234 CD1 :: 13.01440 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 :: 9.08196 HA :: 4.65344 HB :: 2.00237 HG12 :: 1.08582 HG13 :: 1.62354 HG21 :: 0.82380 HG22 :: 0.82380 HG23 :: 0.82380 HD11 :: 0.80473 HD12 :: 0.80473 HD13 :: 0.80473 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.54755 Ave N Shift Values>> N :: 121.46(4.28) 1.L131 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.51 C 0.21 R 0.13 G 0.12 C Shift Assignments>> C :: 174.60268 CA :: 54.63392 CB :: 43.65768 CG :: 27.21597 CD1 :: 26.19512 CD2 :: 24.28212 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 :: 9.33825 HA :: 5.24021 HB2 :: 0.86884 HB3 :: 2.23665 HG :: 1.17850 HD11 :: -0.35257(S) HD12 :: -0.35257(S) HD13 :: -0.35257(S) HD21 :: 0.53568 HD22 :: 0.53568 HD23 :: 0.53568 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 :: 134.40412 Ave N Shift Values>> N :: 121.86(3.9) 1.R132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.37 R 0.2 C Shift Assignments>> C :: 173.85741 CA :: 54.53294 CB :: 32.51337 CG :: 26.41659 CD :: 44.60010 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 :: 9.10423 HA :: 5.43487 HB2 :: 1.46116 HB3 :: 2.16982 HG2 :: 1.33853 HD2 :: 2.78828 HD3 :: 3.16597 HE :: 8.75576 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 :: 130.08477 NE :: 86.60875 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.Q133 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> H 0.17 Q 0.14 R 0.14 C 0.12 W 0.12 E 0.1 K 0.09 M 0.07 C Shift Assignments>> C :: 173.29313 CA :: 54.37137 CB :: 29.93201 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 :: 9.43027 HA :: 5.37084 HE21 :: 5.08743(S) HE22 :: 5.08472(S) 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 :: 132.71632(S) NE2 :: 108.57003 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (HE21 > HA : 0.9988) (HE22 > HA : 0.9976) 1.T134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.91703 CA :: 59.93187 CB :: 72.39751 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 :: 8.77427 HA :: 4.79042 HB :: 4.65037 HG21 :: 1.19944 HG22 :: 1.19944 HG23 :: 1.19944 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 :: 117.42023 Ave N Shift Values>> N :: 115.42(4.75) 1.N135 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> D 0.29 L 0.25 K 0.14 F 0.07 N 0.07 Y 0.05 C 0.04 R 0.04 C Shift Assignments>> C :: 175.90008 CA :: 54.14702 CB :: 41.65165 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 :: 9.82361 HA :: 5.36906 HD21 :: 10.76085(A) HD22 :: 10.75923(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.43386 ND2 :: 120.45072(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N136 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.33 N 0.23 D 0.1 P 0.09 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> C :: 175.43956 CA :: 51.79514 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 :: 8.15237 HD21 :: 5.07075(S) HD22 :: 5.07244(S) 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 :: 116.80520 ND2 :: 112.77808 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.08 L 0.07 F 0.03 R 0.03 Y 0.01 C Shift Assignments>> C :: 174.07000 CA :: 58.82487 CB :: 45.26585 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 :: 9.13958 HA :: 4.71902 HB2 :: 2.31190 HB3 :: 3.09339 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 :: 123.38993 Ave N Shift Values>> N :: 120.52(4.2) 1.N138 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Suspicious PRTL>> A 0.33 N 0.24 D 0.1 P 0.06 L 0.05 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 F 0.01 C Shift Assignments>> C :: 175.64916 CA :: 51.91473 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 :: 9.71219 HD21 :: 10.92387(A) HD22 :: 10.91826(A) 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 :: 122.16450 ND2 :: 121.36364(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.46003 CA :: 57.65873 CB :: 63.52481 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.79207 HA :: 4.58720 HB2 :: 3.88041 HB3 :: 3.99633 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 :: 111.81751 Ave N Shift Values>> N :: 116.28(3.52) 1.D140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.02 C Shift Assignments>> C :: 175.16508 CA :: 55.88121 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 :: 7.71743 HA :: 3.49133(S) HB2 :: 2.33879 HB3 :: 1.76063 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.06918 Ave N Shift Values>> N :: 120.65(3.86) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.26 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> C :: 175.34415 CA :: 53.22143 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 :: 6.80132 HA :: 4.77777 HB2 :: 2.28530 HB3 :: 2.66838 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 :: 121.24972 Ave N Shift Values>> N :: 120.65(3.86) 1.F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.16 N 0.12 L 0.1 A 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 K 0.04 C 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 HN Overlap>> 1.Y108 1.Y108 C Shift Assignments>> C :: 175.31082 CA :: 54.39324 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 :: 9.00038 HA :: 5.44604 HB2 :: 2.69010 HB3 :: 3.07567 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.13730 Ave N Shift Values>> N :: 120.45(4.18) 1.Q143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.45 C 0.37 E 0.16 C Shift Assignments>> C :: 174.86725 CA :: 54.79494 CB :: 31.13227 CG :: 34.37507 CD :: 180.31146 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 :: 8.80067 HA :: 5.24911 HB2 :: 1.58364 HB3 :: 1.97773 HG2 :: 2.08536 HG3 :: 2.55633 HE21 :: 6.60146 HE22 :: 7.77842 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.75447 NE2 :: 112.12316 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.24 D 0.14 C 0.12 L 0.09 N 0.07 I 0.04 C Shift Assignments>> C :: 172.41992 CA :: 56.54829 CB :: 39.63625 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 :: 10.00616 HA :: 4.37456 HB2 :: 2.08252 HB3 :: 3.46769 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 :: 127.48845 Ave N Shift Values>> N :: 120.45(4.18) 1.V145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> 1.T53 1.S78 1.T53 1.S78 C Shift Assignments>> C :: 173.19930 CA :: 63.19072 CB :: 32.24140 CG1 :: 21.12105 CG2 :: 21.13429 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 :: 8.81021 HA :: 3.89164 HB :: 1.87241 HG11 :: 0.74323 HG12 :: 0.74323 HG13 :: 0.74323 HG21 :: 0.74323 HG22 :: 0.74323 HG23 :: 0.74323 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.06497 Ave N Shift Values>> N :: 121.14(4.54) 1.W146 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 174.72695 CA :: 54.10253 CB :: 30.11278 CD1 :: 129.39492 CE3 :: 120.46673 CZ2 :: 113.27683 CZ3 :: 121.99844 CH2 :: 123.06242 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 :: 8.75846 HA :: 5.21273 HB2 :: 2.95803 HB3 :: 3.45055 HD1 :: 7.00361 HE1 :: 7.09495(S) HE3 :: 7.23038 HZ2 :: 6.82449 HZ3 :: 6.61817 HH2 :: 6.54036 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 :: 126.68709 NE1 :: 122.48191 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.69 C 0.15 D 0.14 C Shift Assignments>> C :: 172.96993 CA :: 53.14494 CB :: 39.97641 CG :: 175.24614 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 :: 9.01709 HA :: 4.99617 HB2 :: 3.54201 HB3 :: 3.54201 HD21 :: 6.30261 HD22 :: 6.67441 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 :: 124.96259 ND2 :: 110.09082 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 I 0.29 A 0.01 C Shift Assignments>> C :: 173.70809 CA :: 58.96674 CB :: 35.87450 CG1 :: 27.13016 CG2 :: 18.67844 CD1 :: 11.15505 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 :: 9.24810 HA :: 4.76332 HB :: 2.14718 HG12 :: 1.11763 HG13 :: 1.67680 HG21 :: 0.71142 HG22 :: 0.71142 HG23 :: 0.71142 HD11 :: 0.71918 HD12 :: 0.71918 HD13 :: 0.71918 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 :: 124.40200 Ave N Shift Values>> N :: 121.46(4.28) 1.Y149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.21 R 0.16 D 0.11 F 0.1 Y 0.07 C 0.05 C Shift Assignments>> C :: 175.42630 CA :: 56.39390 CB :: 42.34446 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 :: 9.32766 HA :: 5.04875 HB2 :: 1.89196 HB3 :: 2.23272 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 :: 127.26039 Ave N Shift Values>> N :: 120.52(4.2) 1.A150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 L 0.08 C 0.04 M 0.01 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 179.28888 CA :: 51.60767 CB :: 21.10538 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.56845 HA :: 4.41817 HB1 :: 1.46627 HB2 :: 1.46627 HB3 :: 1.46627 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.15602 Ave N Shift Values>> N :: 123.23(3.54) 1.N151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.14 D 0.13 C Shift Assignments>> C :: 174.82496 CA :: 53.18813 CB :: 39.58044 CG :: 175.48133 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 :: 9.13716 HA :: 5.15989 HB2 :: 2.50048 HB3 :: 2.89960 HD21 :: 6.55752 HD22 :: 7.41353 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.02823 ND2 :: 109.15327 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.44 N 0.43 C 0.1 G 0.02 C Shift Assignments>> C :: 171.05368 CA :: 52.28114 CB :: 41.97683 CG :: 176.41501 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 :: 7.40213 HA :: 4.89222 HB2 :: 2.70632 HB3 :: 2.90800 HD21 :: 7.17471 HD22 :: 7.24209 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 :: 110.77172 ND2 :: 114.99762 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.26 K 0.14 R 0.1 F 0.06 C 0.04 N 0.04 Y 0.03 C Shift Assignments>> C :: 177.81495 CA :: 53.90697 CB :: 42.23240 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 :: 8.47985 HA :: 5.15237 HB2 :: 2.56516 HB3 :: 2.63307 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 :: 117.10032 Ave N Shift Values>> N :: 120.65(3.86) 1.V154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.28817 CA :: 61.84566 CB :: 35.31645 CG1 :: 21.88073 CG2 :: 20.79669 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 :: 8.84166 HA :: 4.49332 HB :: 1.79628 HG11 :: 0.87262 HG12 :: 0.87262 HG13 :: 0.87262 HG21 :: 0.95150 HG22 :: 0.95150 HG23 :: 0.95150 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 :: 120.97036 Ave N Shift Values>> N :: 121.14(4.54) 1.V155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.42951 CA :: 60.76440 CB :: 34.77525 CG1 :: 20.82993 CG2 :: 22.33057 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 :: 8.73173 HA :: 4.66394 HB :: 2.04724 HG11 :: 0.80072 HG12 :: 0.80072 HG13 :: 0.80072 HG21 :: 0.98083 HG22 :: 0.98083 HG23 :: 0.98083 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 :: 128.33778 Ave N Shift Values>> N :: 121.14(4.54) 1.V156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.24 A 0.04 C Shift Assignments>> CA :: 57.74830 CB :: 33.62451 CG1 :: 20.07954 CG2 :: 20.07954 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 :: 8.52570 HA :: 5.35882 HB :: 1.78996 HG11 :: 0.81613 HG12 :: 0.81613 HG13 :: 0.81613 HG21 :: 0.94441 HG22 :: 0.94441 HG23 :: 0.94441 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 :: 126.97013 Ave N Shift Values>> N :: 121.14(4.54) 1.P157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.41 C Shift Assignments>> C :: 176.01566 CA :: 63.41225 CB :: 32.58320 CG :: 27.72246 CD :: 52.08347 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.42453 HB2 :: 1.94491 HB3 :: 2.31496 HG2 :: 1.78332 HG3 :: 2.00578 HD2 :: 3.67272 HD3 :: 3.92708 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 62.86492 CB :: 70.74979 CG2 :: 22.56751 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 :: 7.72867 HA :: 4.19456 HB :: 4.25609 HG21 :: 1.20582 HG22 :: 1.20582 HG23 :: 1.20582 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 :: 118.85844 Ave N Shift Values>> N :: 115.42(4.75) 2.KGM1 Overall Status: Residue type KGM not supported. ########################################################################### Overall Results: #Consistent: 142 #Clerical: 0 #Suspicious: 14 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 158 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 157 #Suspicious: 1 C Shift Results: #Consistent: 622 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 978 #Duplicate: 0 #Unknown: 0 #Suspicious: 25 #Anomalous: 3 N Shift Results: #Consistent: 168 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 Error Summary: 1.I11 HD11 = -0.47570(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7431e-05 1.I11 HD12 = -0.47570(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7431e-05 1.I11 HD13 = -0.47570(S), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7431e-05 1.G14 HA2 = 0.97223(S), Expected = 3.97, Std = 0.3700, ChiSquare = 5.4027e-16 1.G15 HA2 = 1.20408(S), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6935e-14 1.N19 HA = 5.86214(S), Expected = 4.67, Std = 0.3600, ChiSquare = 9.2797e-04 1.I42 HG21 = -0.15862(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8315e-04 1.I42 HG22 = -0.15862(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8315e-04 1.I42 HG23 = -0.15862(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.8315e-04 1.G61 HA3 = 5.55855(S), Expected = 3.90, Std = 0.3700, ChiSquare = 7.3750e-06 1.S78 HB2 = 2.78856(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.2668e-05 1.P85 HA = 3.18867(S), Expected = 4.40, Std = 0.3300, ChiSquare = 2.4189e-04 1.V105 HG11 = -0.50852(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6306e-07 1.V105 HG12 = -0.50852(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6306e-07 1.V105 HG13 = -0.50852(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6306e-07 1.L131 HD11 = -0.35257(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.2249e-05 1.L131 HD12 = -0.35257(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.2249e-05 1.L131 HD13 = -0.35257(S), Expected = 0.75, Std = 0.2800, ChiSquare = 8.2249e-05 1.Q133 HE21 = 5.08743(S), Expected = 7.24, Std = 0.4500, ChiSquare = 1.7228e-06 1.Q133 HE22 = 5.08472(S), Expected = 7.02, Std = 0.4400, ChiSquare = 1.0907e-05 1.Q133 N = 132.71632(S), Expected = 119.89, Std = 3.6000, ChiSquare = 3.6683e-04 1.Q133 SRO Rule Break>> HE21 > HA : 0.998812351543943 1.Q133 SRO Rule Break>> HE22 > HA : 0.997619047619048 1.N135 HD21 = 10.76085(A), Expected = 7.35, Std = 0.4800, ChiSquare = 1.1951e-12 1.N135 HD22 = 10.75923(S), Expected = 7.14, Std = 0.4900, ChiSquare = 1.5110e-13 1.N135 ND2 = 120.45072(S), Expected = 112.75, Std = 2.2300, ChiSquare = 5.5390e-04 1.N136 HD21 = 5.07075(S), Expected = 7.35, Std = 0.4800, ChiSquare = 2.0499e-06 1.N136 HD22 = 5.07244(S), Expected = 7.14, Std = 0.4900, ChiSquare = 2.4483e-05 1.N138 HD21 = 10.92387(A), Expected = 7.35, Std = 0.4800, ChiSquare = 9.6532e-14 1.N138 HD22 = 10.91826(A), Expected = 7.14, Std = 0.4900, ChiSquare = 1.2510e-14 1.N138 ND2 = 121.36364(S), Expected = 112.75, Std = 2.2300, ChiSquare = 1.1218e-04 1.D140 HA = 3.49133(S), Expected = 4.59, Std = 0.3200, ChiSquare = 5.9619e-04 1.W146 HE1 = 7.09495(S), Expected = 10.08, Std = 0.6600, ChiSquare = 6.1026e-06